1-Isocyanato-3,5-dimethoxybenzene

HCID 2736200

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 54132-76-2
표준 SMILES: COc1cc(N=C=O)cc(OC)c1
InChIKey: LEKQOUWMYSIQII-UHFFFAOYSA-N
분자식: C9H9NO3
평균 분자량: 179.17 g/mol
단동위원소 질량: 179.05824315

이름 및 식별자

우선 이름: 1-Isocyanato-3,5-dimethoxybenzene
IUPAC: 1-isocyanato-3,5-dimethoxybenzene
영어명: 3,5-DIMETHOXYPHENYL ISOCYANATE
분자식: C9H9NO3
분자량: 179.17

이름 및 동의어

1-isocyanato-3,5-dimethoxybenzene54132-76-2DTXSID70371198RefChem:231136DTXCID803222323,5-Dimethoxyphenyl isocyanate1-isocyanato-3,5-dimethoxy-benzeneMFCD000138623,5-DIMETHOXYPHENYLISOCYANATE(3,5-dimethoxy)phenyl isocyanate3,5-Dimethoxyphenyl isocyanate, 98%AB01130

이름 더 보기

NOT IN STOCK1,3-Dimethoxy-5-isocyanatobenzene3,5-Dimethoxyphenyl isocyanate 98%Benzene, 1-isocyanato-3,5-dimethoxy-3,5-Dimethoxyphenyl isocyanate, tech1-isocyanato-3,5-dimethoxybenzene(SALTDATA: FREE)

EN300-1468983,5-DimethoxypBB 0261870SCHEMBL1352763,5-dimethoxy-phenyl-isocyanateALBB-003025STR06380BBL037651

데이터베이스 식별자

CAS: 54132-76-2
PubChem CID: 2736200
DTXSID: DTXSID70371198
EC Number: 625-992-8
Nikkaji: J410.668G

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 47.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 189

물리화학적 성질

녹는점: 33 · 33-36 °C(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
InChI: 1S/C9H9NO3/c1-12-8-3-7(10-6-11)4-9(5-8)13-2/h3-5H,1-2H3
InChIKey: LEKQOUWMYSIQII-UHFFFAOYSA-N
SMILES: COc1cc(OC)cc(c1)N=C=O

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, 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 42 reports by companies from 3 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: UN 3335
HS 번호: 2929100090
risk_code: 20/21/22-36/37/38-42
hazard_code: Xn,Xi
safety_code: 26-36
위험 등급: IRRITANT
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