4-Bromophenyl isocyanate (HCID 75609)

이름 및 식별자

우선 이름: 4-Bromophenyl isocyanate
IUPAC: 1-bromo-4-isocyanatobenzene
영어명: 4-BROMOPHENYL ISOCYANATE
분자식: C7H4BrNO
분자량: 198.02

이름 및 동의어

4-Bromophenyl isocyanate2493-02-9p-Bromophenyl isocyanate4-Bromophenylisocyanate4-bromophenylcarbimideIsocyanic acid, p-bromophenyl esterMGR77M31ZWP-BROMOPHENYLCARBONIMIDENSC 8037NSC-8037EINECS 219-662-9UNII-MGR77M31ZW

이름 더 보기

p-BromocarbanilBroMo-4-isocyanatobenzene4-Bromophenylisocyanate,99%1-bromo-4-isocyanato-benzen

DTXSID1062465Isocyanic acid p-bromophenyl esterP-BROMOPHENYL ISOCYANATE [MI]RefChem:98215DTXCID3037177CZQIJQFTRGDODI-UHFFFAOYSA-NIsocyanic acid, p-bromophenyl ester (6CI,7CI,8CI)1-Bromo-4-isocyanatobenzene

데이터베이스 식별자

CAS: 2493-02-9
PubChem CID: 75609
DTXSID: DTXSID1062465
UNII: MGR77M31ZW
EC Number: 219-662-9
Nikkaji: J7.593K

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 146

물리화학적 성질

녹는점: 42 · 42-44 °C(lit.)
끓는 점: 158 °C14 · 158 °C14 mm Hg(lit.)
밀도: 1.6077 · 1.6077 (rough estimate)
굴절률: 1.55 · 1.5500 (estimate)
인화점: 229 °F · 229 °F
저장 조건: Refrigerator (+4°C)
용해도: 디에틸 에테르: 매우 약간 용해됨
물리적 상태: 결정질 고체
색상: 흰색~밝은 베이지
수용성: 물에 거의 녹지 않습니다(25°C에서 0.40g/L).
Merck: 14 · 14,1430
BRN: 508203 · 508203
InChI: 1S/C7H4BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey: CZQIJQFTRGDODI-UHFFFAOYSA-N
SMILES: Brc1ccc(cc1)N=C=O
EPA: p-Bromophenyl isocyanate (2493-02-9)

화학적 성질

WHITE TO LIGHT BEIGE CRYSTALLINE SOLID

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Hazard Classes and CategoriesAcute 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%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: CY9035500
ridadr: 2206
HS 번호: 29291090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 7-26-27-36/37/39
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids