34-디메톡시페닐이소시아네이트98

4-Isocyanato-1,2-dimethoxybenzene

HCID 3517810CAS 37527-66-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(N=C=O)cc1OC
InChIKey: NYTBFFZQIRSGLL-UHFFFAOYSA-N
분자식: C9H9NO3
평균 분자량: 179.17 g/mol
단동위원소 질량: 179.05824315

이름 및 식별자

우선 이름: 4-Isocyanato-1,2-dimethoxybenzene
IUPAC: 4-isocyanato-1,2-dimethoxybenzene
현지명: 34-디메톡시페닐이소시아네이트98
영어명: 3 4-Dimethoxyphenyl isocyanate 98
분자식: C9H9NO3
분자량: 179.17

이름 및 동의어

4-isocyanato-1,2-dimethoxybenzene37527-66-5DTXSID50393237RefChem:293601DTXCID00344097627-616-83,4-Dimethoxyphenyl isocyanateMFCD018636884-isocyanato-1,2-dimethoxy-benzene3,4-DimethoxyphenylisocyanateBenzene,4-isocyanato-1,2-dimethoxy-Benzene, 4-isocyanato-1,2-dimethoxy-

이름 더 보기

34-디메톡시페닐이소시아네이트983 4-Dimethoxyphenyl isocyanate 984-isocyanato-1,2-dimethoxybenzene(SALTDATA: FREE)

SCHEMBL3076953,4 -dimethoxyphenylisocyanate3,4-dimethoxy-phenyl isocyanateSCHEMBL296007214-Isocyanato-12-diMethoxybenzeneNYTBFFZQIRSGLL-UHFFFAOYSA-NALBB-0075093,4-DiMethoxyphenyl isocyanate 98%

데이터베이스 식별자

CAS: 37527-66-5
PubChem CID: 3517810
DTXSID: DTXSID50393237
EC Number: 627-616-8

물성

구조 계산 물성

XLogP: 2.9
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: 201

물리화학적 성질

끓는 점: 261 °C · 261 °C(lit.)
밀도: 1.204 g/mL · 1.204 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.558(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
InChI: 1S/C9H9NO3/c1-12-8-4-3-7(10-6-11)5-9(8)13-2/h3-5H,1-2H3
InChIKey: NYTBFFZQIRSGLL-UHFFFAOYSA-N
SMILES: COc1ccc(cc1OC)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 41 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 2206 6.1/PG 3
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 23-26-36
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: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects