3,5-Dichlorophenyl isocyanate (HCID 94460)

이름 및 식별자

우선 이름: 3,5-Dichlorophenyl isocyanate
IUPAC: 1,3-dichloro-5-isocyanatobenzene
영어명: 3,5-Dichlorophenyl isocyanate
분자식: C7H3Cl2NO
분자량: 188.01

이름 및 동의어

3,5-Dichlorophenyl isocyanate34893-92-0Benzene, 1,3-dichloro-5-isocyanato-EINECS 252-276-9DTXSID2067878EC 252-276-9RefChem:91489DTXCID4038922XEFUJGURFLOFAN-UHFFFAOYSA-N1,3-Dichloro-5-isocyanatobenzene3,5-Dichlorophenylisocyanate3,5-Dichlorophenylisocyantae

이름 더 보기

3,5-Dichlorophenyl i3,5-Dichlorophenyl isocyate3,5-DICHLOROISOCYANATOBENZENE3,5-dichlorobenzene isocyanate3,5-DichlorophenylIsocyanate>1-Isocyanato-3,5-dichlorobenzene1,3-dichloro-5-isocyanato-benzen

MFCD000138591,3-Dichloro-5-isocyanato-benzeneIsocyanic Acid 3,5-Dichlorophenyl Ester3,5-dichlorobenzenisocyanate3,5-Dichlorophenyl isocyantae3,5dichlorophenyl isocyanateSCHEMBL934103,5-dichloro-phenylisocyanate

데이터베이스 식별자

CAS: 34893-92-0
PubChem CID: 94460
DTXSID: DTXSID2067878
EC Number: 252-276-9
Nikkaji: J30.182E

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: 32 · 32-34 °C (lit.)
끓는 점: 243 °C · 243 °C
밀도: 1.38 g/mL · 1.38 g/mL at 25 °C (lit.)
증기압: 4.7 · 4.7-8.1Pa at 25℃
굴절률: 1.6 · 1.6000 (estimate)
인화점: 230 °F · >230 °F
저장 조건: -20 °C · -20°C Freezer
용해도: 물에서 분해되다
물리적 상태: 저융점 고체
색상: 흰색에서 약간 노란색
수용성: 물에서 분해되다
BRN: 510282 · 510282
Henry's Law Constant: 7.7 · 7.7×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: 1S/C7H3Cl2NO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
InChIKey: XEFUJGURFLOFAN-UHFFFAOYSA-N
SMILES: Clc1cc(Cl)cc(c1)N=C=O
LogP: 3.88 · 3.88
NIST: 3 · 3,5-Dichlorophenyl isocyanate(34893-92-0)
EPA: 3 · 3,5-Dichlorophenyl isocyanate (34893-92-0)

화학적 성질

white to slightly yellow low melting solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (27%): 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 152 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 22-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/1925

Hazard Classes and CategoriesAcute Tox. 3 (27%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2250 6.1/PG 2
HS 번호: 29291090
risk_code: 23/24/25-36/37/38-42-26
hazard_code: T,T+
safety_code: 26-27-36/37/39-45-38-37/39-28A
포장분류: II
위험 등급: 6.1
F 고인화성물질: 19-21
Hazard Classifications: Acute Tox. 1 InhalationAquatic Chronic 2Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1ASTOT SE 3
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials