2,4-디클로로페닐 이소시아네이트

2,4-Dichlorophenyl isocyanate

HCID 75789CAS 2612-57-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C=Nc1ccc(Cl)cc1Cl
InChIKey: OLBJNSPBWLCTOT-UHFFFAOYSA-N
분자식: C7H3Cl2NO
평균 분자량: 188.01 g/mol
단동위원소 질량: 186.95916908

이름 및 식별자

우선 이름: 2,4-Dichlorophenyl isocyanate
IUPAC: 2,4-dichloro-1-isocyanatobenzene
현지명: 2,4-디클로로페닐 이소시아네이트
영어명: 2,4-Dichlorophenyl isocyanate
분자식: C7H3Cl2NO
분자량: 188.01

이름 및 동의어

2,4-Dichlorophenyl isocyanateBenzene, 2,4-dichloro-1-isocyanato-EINECS 220-040-4DTXSID9074563EC 220-040-4RefChem:82394DTXCID0037449220-040-4OLBJNSPBWLCTOT-UHFFFAOYSA-N2612-57-92,4-Dichloro-1-isocyanatobenzene2,4-Dichlorophenylisocyanate

이름 더 보기

2,4-디클로로페닐이소시아네이트TIMTEC-BB SBB0067202,4-Dichlorophenyl Isocyate2,4-DICHLOROISOCYANATOBENZENE2,4-dichlorobenzene isocyanate2,4-dichloro-1-phenylisocyanate1,3-dichloro-4-phenylisocyanate1,3-dichloro-4-isocyanatobenzene2,4-Dichlorophenylisocyanate-96%

2,4-DichlorophenylisocyantaeMFCD000020012,4-dichlorobenzenisocyanate2,4-Dichlorophenyl isocyantaeIsocyanic Acid 2,4-Dichlorophenyl Ester2,4-dichlorphenyl isocyanateSCHEMBL2276142,4-dichloro phenyl isocyanate

데이터베이스 식별자

CAS: 2612-57-9
PubChem CID: 75789
DTXSID: DTXSID9074563
EC Number: 220-040-4
Nikkaji: J192.118E

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

녹는점: 59 · 59-60 °C
끓는 점: 80 °C · 80°C 1mm
밀도: 1.3256 · 1.3256 (rough estimate)
굴절률: 1.55 · 1.5500 (estimate)
인화점: 80 °C/1mm · 80°C/1mm
저장 조건: 20 °C · Store at <= 20°C.
물리적 상태: powder to crystal
색상: White to Light yellow to Light orange
수용성: 물에서 분해되다
BRN: 2090780 · 2090780
InChI: 1S/C7H3Cl2NO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChIKey: OLBJNSPBWLCTOT-UHFFFAOYSA-N
SMILES: Clc1ccc(N=C=O)c(Cl)c1
EPA: 2 · Benzene, 2,4-dichloro-1-isocyanato- (2612-57-9)

화학적 성질

white to beige crystalline solid

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, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+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

Regulatory InformationStatus: Active Update: 27-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/5199

Hazard Classes and CategoriesAcute Tox. 3 (97.8%)

안전 데이터

wgk: 3
ridadr: 2250
HS 번호: 29291090
risk_code: 42-36/37/38-23/24/25-42/43
hazard_code: T,Xi
safety_code: 45-38-36/37/39-28A-26-22
포장분류: II
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials