클로로이소시아나토벤젠

Chlorophenyl isocyanate

HCID 76833CAS 3320-83-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C=Nc1ccccc1Cl
InChIKey: NOHQUGRVHSJYMR-UHFFFAOYSA-N
분자식: C7H4ClNO
평균 분자량: 153.56 g/mol
단동위원소 질량: 152.99814143

개요

structure in first source

이름 및 식별자

우선 이름: Chlorophenyl isocyanate
IUPAC: 1-chloro-2-isocyanatobenzene
현지명: 2-클로로페닐이소시아네이트
영어명: 2-Chlorophenyl isocyanate
분자식: C7H4ClNO
분자량: 153.57

이름 및 동의어

Chlorophenyl isocyanateRefChem:5624382-Chlorophenyl isocyanate3320-83-01-Chloro-2-isocyanatobenzeneo-Chlorophenyl isocyanate2-ChlorophenylisocyanateBenzene, 1-chloro-2-isocyanato-1-Chloro-2-isocyanato-benzeneIsocyanic acid, o-chlorophenyl esterMFCD00001999NSC 8761

이름 더 보기

2-클로로페닐아이소시안산2-클로로페닐이소시아네이트2-클로로페닐 아이소시안산2-Chlorophenylo-chlorophenylcarbonimide2-chlorophenylcarbonimide2-ChlorophenylIsocyanate>1-chloro-2-isocyanato-benzen2-CHLOROPHENYL ISOCYANATE 99%2-Chlorophenyl isocyanate,99%

Isocyanic Acid 2-Chlorophenyl EsterEINECS 222-023-751134-03-3EC 222-023-72-chlorobenzenisocyanateBenzene, chloroisocyanato-Chloroisocyanatobenzenechlorophenylisocyanate

데이터베이스 식별자

CAS: 3320-83-0、51134-03-3
PubChem CID: 76833
DTXSID: DTXSID5062974
EC Number: 222-023-7、257-001-6
Nikkaji: J30.178G

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: 154

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 2 · 2-4 °C
끓는 점: 83 · 83-84 °C (10 mmHg)
밀도: 1.273 g/mL · 1.273 g/mL at 25 °C(lit.)
굴절률: 1.5565 · 1.5565-1.5585
인화점: 88 °C · 88 °C
용해도: 물에서 분해되다
물리적 상태: 액체
색상: Clear, colourless
수용성: 물에서 분해되다
BRN: 386478 · 386478
InChI: InChI=1S/C7H4ClNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChIKey: NOHQUGRVHSJYMR-UHFFFAOYSA-N
SMILES: C1(Cl)=CC=CC=C1N=C=O
NIST: 1 · Benzene, 1-chloro-2-isocyanato-(3320-83-0)
EPA: 1 · Benzene, 1-chloro-2-isocyanato- (3320-83-0)

화학적 성질

clear colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P333+P317, P342+P316, P362+P364, P363, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 16-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5200

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 2
tsca: TSCA listed
ridadr: 2206
HS 번호: 29291090
risk_code: 42-36/37/38-23/24/25-42/43-34-20/21/22-51/53-26
hazard_code: T,C,N,T+
safety_code: 45-38-36/37/39-28A-26-23-61-28
포장분류: II
위험 등급: 6.1
위험 참고 사항: Toxic/Corrosive/Lachrymatory/Moisture Sensitive
Hazard Classifications: Acute Tox. 1 InhalationAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1A
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-chloro-2-isocyanato-: ACTIVE

응용 분야 · 1건

용도2-Chlorophenyl isocyanate has been used:as standard to investigate the photocatalytic degradation of Monuron over TiO2 suspensionsin the preparation of 2-(2-chlorophenylamino)-3,5-dihydro-5,5-dimethyl-3-phenyl-6H-imidazo[1,2-b]-1,2,4-triazol-6-onein synthesis of pentenylated β-cyclodextrin chlorophenyl carbamates