1,2-Dichloro-3-isocyanatobenzene

HCID 33050

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 25550-53-2
표준 SMILES: O=C=Nc1cccc(Cl)c1Cl
InChIKey: FYWJWWMKCARWQG-UHFFFAOYSA-N
분자식: C7H3Cl2NO
평균 분자량: 188.01 g/mol
단동위원소 질량: 186.95916908

이름 및 식별자

우선 이름: 1,2-Dichloro-3-isocyanatobenzene
IUPAC: 1,2-dichloro-3-isocyanatobenzene
영어명: 2,3-Dichlorophenyl isocyanate
분자식: C7H3Cl2NO
분자량: 188.01

이름 및 동의어

2,3-Dichlorophenyl isocyanate1,2-Dichloro-3-isocyanatobenzeneBenzene, 1,2-dichloro-3-isocyanato-FYWJWWMKCARWQG-UHFFFAOYSA-EINECS 255-253-1RefChem:411587255-253-1InChI=1/C7H3Cl2NO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H41195-90-82,3-DichlorophenylisocyanateBenzene, dichloroisocyanato-MFCD00002000

이름 더 보기

2,3-Dichlorophenyl2 3-DICHLOROPHENYL CARBIMIDE2,3-dichlorphenyl isocyanate2,3-DichlorophenylIsocyanate>1,2-dichloro-3-phenylisocyanate2 3-DICHLOROPHENYL CARBIMIDE 99%2,3-Dichlorophenyl isocyanate 97%2,3-Dichlorophenyl isocyanate,97%

1,2-dichloro-3-isocyanato-benzeneDichlorphenylisocyanate25550-53-22,3 dichlorophenylisocyanateIsocyanic Acid 2,3-Dichlorophenyl EsterAS-75594BP-11192EN300-146879

데이터베이스 식별자

CAS: 25550-53-2、41195-90-8
PubChem CID: 33050
DTXSID: DTXSID901358229
EC Number: 255-253-1
Nikkaji: J30.181G

물성

구조 계산 물성

XLogP: 4
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 179

물리화학적 성질

끓는 점: 58 °C · 58°C 1mm
밀도: 1.424 g/mL · 1.424 g/mL at 25 °C(lit.)
굴절률: 1.5774 · 1.5774-1.5794
인화점: 110 °C · >110°C
저장 조건: 0 · 0-6°C
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
수용성: 물에서 분해되다
BRN: 4669222 · 4669222
InChI: 1S/C7H3Cl2NO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H
InChIKey: FYWJWWMKCARWQG-UHFFFAOYSA-N
SMILES: Clc1cccc(N=C=O)c1Cl
EPA: 1 · Benzene, 1,2-dichloro-3-isocyanato- (41195-90-8)

화학적 성질

clear colorless liquid after melting

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (93.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P233, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Benzene, 1,2-dichloro-3-isocyanato-

Hazard Classes and CategoriesAcute Tox. 3 (93.8%)

안전 데이터

wgk: WGK 3
ridadr: 2250
HS 번호: 29291000
risk_code: 42-36/37/38-23/24/25
hazard_code: T
safety_code: 45-38-36/37/39-28A-26-23
포장분류: II
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials