3-Methoxyphenyl isocyanate

HCID 87843CAS 18908-07-1

기본 정보

표준 SMILES: COc1cccc(N=C=O)c1
InChIKey: NPOVTGVGOBJZPY-UHFFFAOYSA-N
분자식: C8H7NO2
평균 분자량: 149.15 g/mol
단동위원소 질량: 149.04767846

이름 및 식별자

우선 이름: 3-Methoxyphenyl isocyanate
IUPAC: 1-isocyanato-3-methoxybenzene
영어명: 3-METHOXYPHENYL ISOCYANATE
분자식: C8H7NO2
분자량: 149.15

이름 및 동의어

3-Methoxyphenyl isocyanateBenzene, 1-isocyanato-3-methoxy-m-Methoxyphenyl isocyanateEINECS 242-658-3DTXSID7066437RefChem:94656DTXCID8035974242-658-3NPOVTGVGOBJZPY-UHFFFAOYSA-N18908-07-11-Isocyanato-3-methoxybenzeneMFCD00002019

이름 더 보기

m-anisyl isocyanate3-Anisyl isocyanate.3-MethoxyphenylIsocyanate>1-isocyanato-3-methoxy-benzen3-Methoxyphenyl isocyanate 99%3-Methoxyphenyl isocyanate,99%3-Methoxyphenyl isocyanate, 99% 5GR

3-Methoxyphenylisocyanate1-isocyanato-3-methoxy-benzene3-methoxybenzenisocyanateIsocyanic Acid 3-Methoxyphenyl Esterm-methoxyphenylisocyanate3-methoxy phenylisocyanate3-methoxyphenyl-isocyanatem-Methyloxyphenyl isocyanate

데이터베이스 식별자

CAS: 18908-07-1
PubChem CID: 87843
DTXSID: DTXSID7066437
EC Number: 242-658-3
Nikkaji: J224.803D

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 163

물리화학적 성질

끓는 점: 94 · 94-95 °C10 mm Hg(lit.)
밀도: 1.138 g/mL · 1.138 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.543(lit.)
인화점: 205 °F · 205 °F
저장 조건: 0 · 0-10°C
물리적 상태: 액체
색상: 투명한 무색~약한 분홍색
BRN: 775986 · 775986
InChI: 1S/C8H7NO2/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3
InChIKey: NPOVTGVGOBJZPY-UHFFFAOYSA-N
SMILES: COc1cccc(c1)N=C=O
EPA: 1 · Benzene, 1-isocyanato-3-methoxy- (18908-07-1)

화학적 성질

clear colorless to slightly pink liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (95.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2206 6.1/PG 3
HS 번호: 29291090
risk_code: 20/21/22-36/37/38-42
hazard_code: Xn
safety_code: 23-36/37/39-45
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects