4-(Chloromethyl)phenyl isocyanate

HCID 2733319

노트 반응

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기본 정보

CAS: 29173-65-7
표준 SMILES: O=C=Nc1ccc(CCl)cc1
InChIKey: OBYMZHLTKVXPQF-UHFFFAOYSA-N
분자식: C8H6ClNO
평균 분자량: 167.59 g/mol
단동위원소 질량: 167.0137915

이름 및 식별자

우선 이름: 4-(Chloromethyl)phenyl isocyanate
IUPAC: 1-(chloromethyl)-4-isocyanatobenzene
영어명: 4-(Chloromethyl)phenyl isocyanate
분자식: C8H6ClNO
분자량: 167.59

이름 및 동의어

4-(Chloromethyl)phenyl isocyanate29173-65-7DTXSID40369845RefChem:288729DTXCID50320881626-560-11-(chloromethyl)-4-isocyanatobenzene4-(CHLOROMETHyl)phenylisoCYANATEBenzene, 1-(chloromethyl)-4-isocyanato-1-(chloromethyl)-4-isocyanato-benzeneSCHEMBL934154-(chloromethyl)benzenisocyanate

이름 더 보기

4-(CHLOROMETHYL)PHENYL ISOCYANATE 97%4-(Chloromethyl)phenyl isocyanate,97%4-(ChloroMethyl)phenyl isocyanate, 97% 1GR

4-(chloromethyl) phenyl isocyanateEBA17365GEO-00744MFCD00134403SBB088118AKOS0062239654-(Chloromethyl)phenyl isocyanate, 97%DB-047535

데이터베이스 식별자

CAS: 29173-65-7
PubChem CID: 2733319
DTXSID: DTXSID40369845
EC Number: 626-560-1
Nikkaji: J1.729.877A

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 157

물리화학적 성질

녹는점: 32 · 32-33 °C(lit.)
끓는 점: 115 · 115-117°C 10mm
밀도: 1.216 g/mL · 1.216 g/mL at 25 °C(lit.)
굴절률: 1.557 · 1.5570 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: solid
BRN: 2828900 · 2828900
InChI: 1S/C8H6ClNO/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,5H2
InChIKey: OBYMZHLTKVXPQF-UHFFFAOYSA-N
SMILES: ClCc1ccc(cc1)N=C=O

화학적 성질

YELLOW LOW MELTING SOLID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: 2928
HS 번호: 29291000
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 7-26-27-37/39
포장분류: III
위험 등급: 8
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids