1,3-Dichloro-2-isocyanatobenzene

HCID 604537CAS 39920-37-1

기본 정보

표준 SMILES: O=C=Nc1c(Cl)cccc1Cl
InChIKey: HMVKMAMIRAVXAN-UHFFFAOYSA-N
분자식: C7H3Cl2NO
평균 분자량: 188.01 g/mol
단동위원소 질량: 186.95916908

이름 및 식별자

우선 이름: 1,3-Dichloro-2-isocyanatobenzene
IUPAC: 1,3-dichloro-2-isocyanatobenzene
영어명: 2,6-Dichlorophenyl isocyanate
분자식: C7H3Cl2NO
분자량: 188.01

이름 및 동의어

2,6-Dichlorophenyl isocyanate1,3-Dichloro-2-isocyanatobenzeneEINECS 254-699-4RefChem:414299254-699-439920-37-12,6-DICHLOROPHENYLISOCYANATEBenzene, 1,3-dichloro-2-isocyanato-MFCD00002003Isocyanic Acid 2,6-Dichlorophenyl Ester1,3-dichloro-2-isocyanato-benzene2,6 dichlorophenylisocyanate

이름 더 보기

2,6-Dichlorophenyl2,6-DichlorophenylIsocyanate>1,3-dichloro-2-phenylisocyanate2,6-DICHLOROPHENYL ISOCYANATE 98%2,6-Dichlorophenyl isocyanate,98%2,6-Dichlorophenyl isocyanate, 98% 5GRIsocyanic acid-2，6-dichlorophenyl ester

2,6-dichlorobenzenisocyanate2,6dichlorophenyl isocyanate2.6-dichlorophenyl isocyanateSCHEMBL326586DTXSID4074568PBA920371,3-Dichloro-2-isocyanatobenzene #2,6-Dichlorophenyl isocyanate, 98%

데이터베이스 식별자

CAS: 39920-37-1
PubChem CID: 604537
DTXSID: DTXSID4074568
EC Number: 254-699-4
Nikkaji: J236.287B

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: 169

물리화학적 성질

녹는점: 43 · 43-45°C
끓는 점: 101 °C · 101°C 5mm
밀도: 1 · 1,015 g/cm3
굴절률: 1.55 · 1.5500 (estimate)
인화점: 76 °C · 76 °C
용해도: 톨루엔에 용해됨
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Almost white or Almost colorless
수용성: 물에서 분해되다
BRN: 608323 · 608323
InChI: 1S/C7H3Cl2NO/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H
InChIKey: HMVKMAMIRAVXAN-UHFFFAOYSA-N
SMILES: Clc1cccc(Cl)c1N=C=O
EPA: 1 · Benzene, 1,3-dichloro-2-isocyanato- (39920-37-1)

화학적 성질

white to yellow crystalline mass

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (97.8%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (97.8%)

안전 데이터

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-26-22-27
포장분류: II
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials