1,2,3-Benzotriazin-4(3H)-one 1,2,3-苯并噻嗪-4(3H)-酮

CAS 90-16-4 MFCD00052387

化学结构图

90-16-4
SMILES: O=c1[nH]nnc2ccccc12

化学属性

Mol. FormulaC7H5N3O
Mol. Weight147.13
Melting Point216-218 °C
TSCAYes
Flash Point125 ºC
Boiling Point282 °C at 760 mmHg
Density1.47

别名和识别编码

Chemical Name1,2,3-Benzotriazin-4(3H)-one
CAS Number90-16-4
Alfabeta NameKETOBENZTRIAZINE 4-
MDL NumberMFCD00052387
Synonym Benzo[d][1,2,3]triazin-4(3H)-one {LY} Benzo[d][1,2,3]triazin-4(3H)-one {} {LY} Benzo[d][1,2,3]triazin-4(3H)-one {} {} {LY} Benzo[d][1,2,3]triazin-4(3H)-one {} {} {} {LY} Benzo[d][1,2,3]triazin-4(3H)-one {} {} {} {} {LY} Benzo[d][1,2,3]triazin-4(3H)-one {} {} {} {} {} {LY} Benzo[d][1,2,3]triazin-4(3H)-one {} {} {} {} {} {} {LY} Benzo[d][1,2,3]triazin-4(3H)-one {} {} {} {} {} {} {} {LY} Benzo[d][1,2,3]triazin-4(3H)-one {} {} {} {} {} {} {} {} {LY} Benzo[d][1,2,3]triazin-4(3H)-one {} {} {} {} {} {} {} {} {} {LY} Benzo[d][1,2,3]triazin-4(3H)-one {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d][1,2,3]triazin-4(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d][1,2,3]triazin-4(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d][1,2,3]triazin-4(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d][1,2,3]triazin-4(3H)-one {} {} {} {} {} {} {} {} {} {}
EC Number201-971-5
Beilstein Registry Number124996
PubChem Substance ID135408793
Reaxys-RN124996
Chemical Name Translation1,2,3-苯并噻嗪-4(3H)-酮
Wiswesser Line NotationT66 BMNNVJ
LabNetwork Molecule IDLN00159998
InChIInChI=1S/C7H5N3O/c11-7-5-3-1-2-4-6(5)8-10-9-7/h1-4H,(H,8,9,11)
Canonical SMILESO=C1NN=NC2=CC=CC=C12
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Triazines

相关文献及参考

  • Thermolysis with loss of N2 gives a reactive keteneimine intermediate which undergoes [4+2] cycloaddition reactions: Tetrahedron Lett., 3465 (1966). For similar reaction with scheme, see Isatoic anhydride, A14603.

安全信息

Warnings IRRITANT
RTECSDM0800000
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;
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
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
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
  • R62 Possible risk of impaired fertility 有削弱生殖能力的危险
WGK Germany3
GHS Symbol
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P332+P313
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P337+P313
  • P301+P312+P330
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Signal word Warning
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 - rat
DOSE/DURATION           : 222 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0555463

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 595 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   USXXAM United States Patent Document.  (U.S. Patent Office, Box 9,
   Washington, DC 20231)  Volume(issue)/page/year: #3794726

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >2 gm/kg/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0555463

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : >2575 mg/kg/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0555463

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 3480 mg/kg
SEX/DURATION            : male 8 day(s) pre-mating
                          female 21 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - female fertility index (e.g. # females pregnant
   per # sperm positive females; # females pregnant per # females mated)
REFERENCE :
   MPHEAE Medicina et Pharmacologia Experimentalis.  (Basel, Switzerland)
   V.12-17, 1965-67.  For publisher information, see PHMGBN.
   Volume(issue)/page/year: 15,7,1966

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 2400 mg/kg
SEX/DURATION            : male 15 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - male fertility index (e.g. # males impregnating
   females per # males exposed to fertile nonpregnant females)
REFERENCE :
   MPHEAE Medicina et Pharmacologia Experimentalis.  (Basel, Switzerland)
   V.12-17, 1965-67.  For publisher information, see PHMGBN.
   Volume(issue)/page/year: 15,7,1966

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 储运特性:通风低温干燥; 与库房食品原料分开存放
  • 可燃性危险特性:可燃; 燃烧产生有毒氮氧化物烟雾
  • 毒性分级:高毒
  • Sigma Aldrich:90-16-4(sigmaaldrich)
  • Alfa Aesar:1,2,3-苯并三嗪-4-酮,97% 1,2,3-Benzotriazin-4(3H)one, 97%(90-16-4)
  • 1,2,3-苯并三嗪-4(3H)-酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 K0003 3,4-二氢-4-氧-1,2,3-苯并三嗪 3,4-Dihydro-4-oxo-1,2,3-benzotriazine 5G 367元 2014/06/02 K0003 3,4-二氢-4-氧-1,2,3-苯并三嗪 3,4-Dihydro-4-oxo-1,2,3-benzotriazine 25G 1170元 2010/05/25 A19798 1,2,3-苯并三嗪-4- 酮, 97% 1,2,3-Benzotriazin-4(3H)one, 97% 5g 440元
  • Hazard Note:Irritant
  • 急性毒性:腹腔-小鼠 LD50: 50 毫克/公斤
  • TCI Shanghai:1,2,3-苯并三嗪-4(3H)-酮 3,4-Dihydro-4-oxo-1,2,3-benzotriazine,>;98.0%(T)(90-16-4)
  • MOL 文件:90-16-4.mol
  • 图谱信息:1,2,3-苯并三嗪-4(3H)-酮(90-16-4)红外图谱(IR2) 1,2,3-苯并三嗪-4(3H)-酮(90-16-4)红外图谱(IR1) 1,2,3-苯并三嗪-4(3H)-酮(90-16-4)质谱(MS) 1,2,3-苯并三嗪-4(3H)-酮(90-16-4)核磁图( 13 CNMR) 1,2,3-苯并三嗪-4(3H)-酮(90-16-4)核磁图( 1 HNMR)
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 类别:有毒物品

系列性分类


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