245607
3,4-二氯苯异氰酸酯
97%
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线性分子式:
Cl2C6H3NCO
化学文摘社编号:
分子量:
188.01
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
203-026-2
Beilstein/REAXYS Number:
608325
MDL number:
产品名称
3,4-二氯苯异氰酸酯, 97%
InChI key
MFUVCHZWGSJKEQ-UHFFFAOYSA-N
InChI
1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
SMILES string
Clc1ccc(cc1Cl)N=C=O
vapor pressure
0.2 mmHg ( 20 °C)
assay
97%
form
solid
bp
118-120 °C/18 mmHg (lit.)
mp
41-43 °C (lit.)
functional group
chloro
isocyanate
Quality Level
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Application
3,4-二氯苯基异氰酸酯通过与含硫脲的芳香/杂环磺胺反应合成 1,5-二取代-2-硫代脲衍生物 。
signalword
Danger
Hazard Classifications
Acute Tox. 2 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Resp. Sens. 1 - Skin Sens. 1A - STOT SE 3
target_organs
Respiratory system
存储类别
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
253.4 °F - closed cup
flash_point_c
123 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
法规信息
危险化学品
此项目有
Carbonic anhydrase inhibitors-Part 49: Synthesis of substituted ureido and thioureido derivatives of aromatic/heterocyclic sulfonamides with increased affinities for isozyme I.
Supuran CT, et al.
European Journal of Medicinal Chemistry, 33(2), 83-93 (1998)
Neepa Choksi et al.
Cutaneous and ocular toxicology, 39(3), 180-192 (2020-06-27)
OptiSafe is an in chemico test method that identifies potential eye irritants based on macromolecular damage following test chemical exposure. The OptiSafe protocol includes a prescreen assessment that identifies test chemicals that are outside the applicability domain of the test
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