硝基苯 硝基苯
CAS 98-95-3 MFCD00007043
化学结构图
SMILES: O=[N+]([O-])C1CCCCC1
化学属性
| Mol. Formula | C6H5NO2 |
|---|---|
| Mol. Weight | 123 |
| Refractive index | n20/D 1.551(lit.) |
| Boiling Point | 210-212 |
| Density | 1.196 |
| Melting Point | 5-6 °C(lit.) |
| Flash Point | 87°(188°F) |
| TSCA | Yes |
| Autoignition Point | 899 °F |
| Vapor Density | 4.2 (vs air) |
| Vapor Pressure | 0.15 mmHg ( 20 °C) |
| Solubility | 略溶于水 |
| Stability | 对光敏感 |
别名和识别编码
| Chemical Name | 硝基苯 |
|---|---|
| CAS Number | 98-95-3 |
| PubChem Substance ID | 7416 |
| EC Number | 202-716-0 |
| Beilstein Registry Number | 507540 |
| MDL Number | MFCD00007043 |
| Merck Number | 14,6588 |
| Synonym | {uni_hamburg} Essence of Myrbane Mononitrobenzene oilofmyrbane ESSENCE OF MYRBANE rcrawastenumberu169 硝苯 129-01 [6] 硝化苯 Rcra waste number U169 MONONITROBENZENE essenceofmirbane nitrobenzol MYRBANE OIL 米耳班油 Essence of myrbane Mirbane oil Mononitrobenzol Benzene,nitro- nitro-benzen 苦杏仁油 Essence of mirbane 人造苦杏仁油 NITROBENZENE NCI-C60082 Nitrobenzol AKOS BBS-00004396 Oil of mirbane Essence of Mirbane 密斑油;苦杏仁油;密班油;人造苦杏仁油;米耳班油 OIL OF MIRBANE C6H5NO2 (nitrobenzene) Nitro-benzene 密斑油 nitrobenzene RCRA waste number U169 硝基苯 Oil of Myrbane benzene, nitro- Nitrobenzen MIRBANE OIL NITROBENZOL Nitrobenzeen 密班油 Oil of Mirbane Mitrobenzole Nitrobenzene 硝基苯标准溶液 一硝基苯 Nitro benzene Oil of myrbane |
| Chemical Name Translation | 硝基苯 |
| Wiswesser Line Notation | WNR |
| LabNetwork Molecule ID | LN00195732 |
| InChI | InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H |
信息真实价格透明
资金保障
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信息真实价格透明
资金保障
专业采购外包团队在线服务
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现货库存
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分类
- {SNA} Alpha Sort, Analytical Standards, Analytical/Chromatography, Chromatography, Cosmetics, Environmental Standards, Flavors and Fragrances, Food & Beverage Standards, N-O, Standards for Personal Care and Cosmetic Products, Volatiles/ Semivolatiles, neats, prohibited substances (EU-REGULATION No 1223/2009)
- {SNA} Additional Standards, Alpha Sort, Analytical Standards, Chromatography, Environmental Standards, Flavor and Fragrance Standards, Food & Beverage Standards, Food and Cosmetic Component Standards, M-P, M-Z, N-O, Organic Pollutant S
产品应用
- Nitrobenzene is an organic compound used a standard for detection and analyses as well as its removal from the environment. The compound’s cytotoxic effects have been studied in a hepatocarcinoma cell line.
相关文献及参考
- For selective reduction to phenylhydroxylamine with hydrazine hydrate in the presence of rhodium, see: Org. Synth. Coll., 8, 16 (1993).
- Merck: 14,6588
- Electrophilic iodination of the deactivated ring has been effected with N-Iodosuccinimide, A14320, in triflic acid: J. Org. Chem., 58, 3194 (1993).
- Short: II/2
- Commonly used, high dielectric constant solvent, e.g. in Friedel-Crafts reactions. CAUTION! Exothermic reactions can occur with aluminum chloride.
- Merck: 14,6588 Beilstein: 5,IV,708
- Short: II/24B
安全信息
GHS Symbol
- H331 Toxic if inhaled 吸入中毒
- H311 Toxic in contact with skin 皮肤接触中毒
- H301 Toxic if swallowed 吞食有毒
- H351 Suspected of causing cancer 怀疑致癌
- H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
- H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
- H372 Causes damage to organs through prolonged or repeated exposure 长期或频繁接触会损伤器官
- P201 Obtain special instructions before use. 使用前获取专门指示。
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P273 Avoid release to the environment. 避免释放到环境中。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P281 Use personal protective equipment as required. 使用所需的个人防护装备。
- P301+P310
- P301+P310+P330
- P302+P352
- P308+P313
- P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
- P403+P233
- R11 Highly flammable 非常易燃
- R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R39/23/24/25 Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed 毒性：吸入，皮肤接触和吞食都会产生十分严重的不可逆危险
- R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
- R48/23/24
- R48/23/24/25
- R51/53
- R52/53
- R60 May impair fertility 可能降低生殖能力
- R62 Possible risk of impaired fertility 有削弱生殖能力的危险
- S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
- S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
- S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
- S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
- S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
- S7 Keep container tightly closed 保存在严格密闭容器中；
TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 25 ppm/6H/2Y-I TOXIC EFFECTS : Tumorigenic - neoplastic by RTECS criteria Liver - tumors REFERENCE : FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 22,328,1994
TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 50 ppm/6H/2Y-I TOXIC EFFECTS : Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors Skin and Appendages - tumors REFERENCE : FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 22,328,1994
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 700 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PCOC** Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. (Topeka, KS) Volume(issue)/page/year: -,805,1966
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 600 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1375,1935
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 750 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1375,1935
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 590 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(8),50,1981
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneo
TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Rodent - hamster Lung DOSE/DURATION : 200 ug/L REFERENCE : BLFSBY Basic Life Sciences. (Plenum Pub. Corp., 223 Spring St., New York, NY 10003) V.1- 1973- Volume(issue)/page/year: 39,359,1986
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE : 5300 mg/kg SEX/DURATION :
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE : 300 mg/kg SEX/DURATION : male 1 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct REFERENCE : TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85, Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 53,219,1988
TYPE OF TEST : TDL
TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE : 1260 ug/m3/4H SEX/DURATION : female 1-21 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - other developmental abnormalities REFERENCE : GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 31(4),48,1987
TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - rat
DOSE : 3180 mg/kg
SEX/DURATION : male 2 week(s) pre-mating
female 2 w其他信息
- 重要化工原料:硝基苯是一种重要化工原料，可用于生产多种医药和染料中间体，也用于制造橡胶促进剂、油漆、炸药等。
- 外观性质:淡黄色透明油状液体，有苦杏仁味。
- 下游产品:氨基苯 --> 3-氨基苯磺酸 --> 3-氨基苯酚 --> 1,3-二氯苯 --> 3-硝基苯胺 --> 对氨基二苯胺 --> 兰雪醌 --> 1,3-二硝基苯 --> 3,8-二氨基-5-甲基-6-苯基溴化菲啶盐 --> 间氨基苯磺酰胺 --> 3-硝基苯磺酸钠 --> 8-氨基-6-甲氧基喹啉 --> 4,4'-二氨基二苯醚 --> 4-(4-甲氧基苯基)丁酸 --> 6-甲氧基-2-乙酰萘 --> 香草粉 --> 分散红 60 --> 4-（2-噻嗯基）丁酸 --> 3-氨基苯磺酸单钠盐 --> N,N'-二苯基-N,N'-二(3-甲基苯基)-1,1'-联苯-4,4'-二胺 --> 4-硝基儿茶酚 --> 6-甲氧基-2-萘甲酸 --> 8-氯喹啉 --> 乙酰丁香酮 --> 酸性黑 2 --> 还原绿
- 上游原料:氢氧化钠 --> 硫酸 --> 硝酸 --> 碳酸钠 --> 苯 --> 1,3-二硝基苯
- 类别:农药
- Alfa Aesar:硝基苯,99% Nitrobenzene, 99%(98-95-3)
- 毒性分级:中毒
- {Chemical
- 职业标准:TLV-TWA 1 PPM (5 毫克/ 立方米); STEL 2 PPM (10 毫克/ 立方米)
- 下游产品:氨基苯 --> 3-氨基苯磺酸 --> 3-氨基苯酚 --> 1,3-二氯苯 --> 3-硝基苯胺 --> 对氨基
- 化学性质:硝基苯的化学活性与硝基有密切关系，硝基是极性基，是强吸电子基，使苯环上电子云密度降低，须在较强的条件下才能发生亲电取代反应;反之有利于亲核的取代反应，可以进行卤化、磺化、硝化及羰基化反应。硝基是一个不饱和基，具有弱氧化性，能发生还原反应，催化氢化，可生成伯胺;硝基苯可用作酚类酰化反应的溶剂。本品有毒，中毒症状类似苯胺，饮酒可增加中毒性。可经皮及呼吸道吸入，急性中毒时，产生头痛、恶心、呕吐和疲倦等症状，重者昏睡、神智不清。大鼠经口LD50640mg/kg。工作场所最高允许浓度1×10-6。 通常由苯与硝酸及硫酸(混合酸)在55℃左右反应制得硝基苯。 由于硝基引入苯环，其致钝作用使硝基苯的亲电取代活
- 常规方法:采用铁桶严密包装，每桶净重200kg。贮存于阴凉、干燥处。防火、防晒。按有毒危险物品规定贮运。
- 物理性质:硝基苯俗名人造苦杏仁油、密斑油，纯品是几乎无色或淡黄色油状液体，有近似苦杏仁油的特殊臭味，能随水蒸气一起挥发。有毒。相对密度1.307，熔点5.70℃，沸点210.9℃。普通品常含有少量的二硝基苯和二硝基噻吩等杂质，呈黄色或红黄色液体。几乎不溶于水，溶于乙醇、乙醚等有机溶剂。水溶液带甜味，碱性或酸性还原能分步生成亚硝基苯、苯胲、苯胺，在弱酸中电解还原直接生成苯胺，在强酸中则生成对氨基苯酚。毒性LD50lg/kg(兔)。 硝基苯是重要的有机合成中间体之
- 图谱信息:硝基苯(98-95-3)质谱(MS) 硝基苯(98-95-3)Raman光谱 硝基苯(98-95-3)核磁图( 13 CNMR) 硝基苯(98-95-3)核磁图( 1 HNMR) 硝基苯(98-95-3)红外图谱(IR1) 硝基苯(98-95-3)红外图谱(IR2)
- 用途二:作为基本有机化工原料，用于生产多种医药和染料中间体，如苯胺、间氨基苯磺酸、二硝基苯等，也用作溶剂
- TCI Shanghai:硝基苯 Nitrobenzene,>;98.0%(GC)(98-95-3)
- 化学性质:硝基苯的化学活性与硝基有密切关系，硝基是极性基，是强吸电子基，使苯环上电子云密度降低，须在较强的条件下才能发生亲电取代反应;反之有利于亲核的取代反应，可以进行卤化、磺化、硝化及羰基化反应。硝基是一个不饱和基，具有弱氧化性，能发生还原反应，催化氢化，可生成伯胺;硝基苯可用作酚类酰化反应的溶剂。本品有毒，中毒症状类似苯胺，饮酒可增加中毒性。可经皮及呼吸道吸入，急性中毒时，产生头痛、恶心、呕吐和
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