3,5-Dibromobenzoic Acid 3,5-二溴苯甲酸

CAS 618-58-6 MFCD00051758

化学结构图

618-58-6
SMILES: O=C(O)c1cc(Br)cc(Br)c1

化学属性

Mol. FormulaC7H4Br2O2
Mol. Weight279.91
Melting Point218-220°C
Density1.422
TSCANo
Appearance 白色针状或片状结晶。熔点219-220℃(升华)。溶于醇和乙酸,难溶于冷水和冷苯。
Boiling Point355.2°C at 760 mmHg

别名和识别编码

Chemical Name3,5-Dibromobenzoic Acid
CAS Number618-58-6
Alfabeta NameDIBROMOBENZOICACID 35-,
MDL NumberMFCD00051758
EC Number250-023-7
Beilstein Registry Number1940691
PubChem Substance ID12063
Synonym 3,5-DIBROMOBENZOIC ACID 3,5-Dibromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Reaxys-RN1940691
Chemical Name Translation3,5-二溴苯甲酸
InChIKeySFTFNJZWZHASAQ-UHFFFAOYSA-N
Wiswesser Line NotationQVR CE EE
LabNetwork Molecule IDLN00126484
InChIInChI=1S/C7H4Br2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
Canonical SMILESO=C(O)C1=CC(Br)=CC(Br)=C1
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分类

  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S37 Wear suitable gloves 戴适当手套;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSDG6290010
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 562 mg/kg
TOXIC EFFECTS :
   Behavioral - rigidity (including catalepsy)
   Behavioral - muscle contraction or spasticity
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 11,1020,1968

Storage condition Store at room temperature

其他信息

  • TCI Shanghai:3,5-二溴苯甲酸 3,5-Dibromobenzoic Acid,>;97.0%(GC)(T)(618-58-6)
  • Alfa Aesar:3,5-二溴苯甲酸,98% 3,5-Dibromobenzoic acid, 98%(618-58-6)
  • MOL 文件:618-58-6.mol
  • 图谱信息:3,5-二溴苯甲酸(618-58-6)核磁图( 1 HNMR) 3,5-二溴苯甲酸(618-58-6)核磁图( 13 CNMR) 3,5-二溴苯甲酸(618-58-6)红外图谱(IR2) 3,5-二溴苯甲酸(618-58-6)质谱(MS) 3,5-二溴苯甲酸(618-58-6)红外图谱(IR1)
  • 上游原料:邻氨基苯甲酸
  • Hazard Note:Irritant
  • Acros Organics:3,5-Dibromobenzoic acid(618-58-6)
  • 方法一:由邻氨基苯甲酸经溴化、重氮化等反应而得。溴化反应在20℃左右进行,反应后过滤结晶,用热水洗去邻氨基苯甲酸、盐酸,用乙酸进行重结晶,得邻氨基-3,5-二溴苯甲酸;然后用亚硝酸钠于0℃左右在盐酸中进行重氮化,再将重氮盐分批加入60-70℃含有硫酸钙的乙醇中,加毕,继续搅拌10min,过滤得粗品,用乙醇重结晶得成品。
  • 3,5-二溴苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D2353 3,5-二溴苯甲酸 3,5-Dibromobenzoic Acid 10G 1540元 2010/06/21 CD11016DA 3,5-二溴苯甲酸 3,5-dibromobenzoic acid 1 GR 300元 2010/06/21 CD11016EA 3,5-二溴苯甲酸 3,5-dibromobenzoic acid 10 GR 1275元
  • Sigma Aldrich:618-58-6(sigmaaldrich)

系列性分类


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