HCID75609

4-Bromophenyl isocyanate

1-bromo-4-isocyanatobenzene

C7H4BrNO198.02 g/molCAS 2493-02-9

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IDENTITY

结构与身份

标准SMILES: O=C=Nc1ccc(Br)cc1
InChIKey: CZQIJQFTRGDODI-UHFFFAOYSA-N
分子式: C7H4BrNO
平均分子量: 198.02 g/mol
单同位素质量: 196.94763

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 29.4 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 10
形式电荷: 0
复杂度: 146

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H312 (89.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (89.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (14.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (89.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (89.4%)；Resp. Sens. 1 (14.9%)；STOT SE 3 (100%)

USES

用途与制造

来源：PubChem

General Manufacturing Information

Benzene, 1-bromo-4-isocyanato-: ACTIVE

ALIASES

名称与别名

共 54 条

4-Bromophenyl isocyanate2493-02-9p-Bromophenyl isocyanate4-Bromophenylisocyanate4-bromophenylcarbimideIsocyanic acid, p-bromophenyl esterMGR77M31ZWP-BROMOPHENYLCARBONIMIDENSC 8037NSC-8037EINECS 219-662-9UNII-MGR77M31ZWDTXSID1062465Isocyanic acid p-bromophenyl esterP-BROMOPHENYL ISOCYANATE [MI]RefChem:98215DTXCID3037177CZQIJQFTRGDODI-UHFFFAOYSA-NIsocyanic acid, p-bromophenyl ester (6CI,7CI,8CI)1-Bromo-4-isocyanatobenzene

REACTIONS