2,5-Dimethylphenyl isocyanate

HCID 98605CAS 40397-98-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ccc(C)c(N=C=O)c1
InChIKey
SOXVXJQIQVOCAY-UHFFFAOYSA-N
분자식
C9H9NO
평균 분자량
147.17 g/mol
단동위원소 질량
147.06841391

개요

2,5-dimethylphenyl isocyanate is an isocyanate that consists of phenyl isocyanate bearing two additional methyl substituents at positions 2 and 5. It has a role as a hapten.

이름 및 식별자

우선 이름
2,5-Dimethylphenyl isocyanate
IUPAC
2-isocyanato-1,4-dimethylbenzene
영어명
2,5-Dimethylphenyl isocyanate
분자식
C9H9NO
분자량
147.17

이름 및 동의어

2,5-Dimethylphenyl isocyanate2-isocyanato-1,4-dimethylbenzene2,5-dimethylphenylisocyanateBenzene, 2-isocyanato-1,4-dimethyl-2,5-dimethyl phenylisocyanate4UPG772T8KCHEBI:60097NSC-152098DTXSID10682271-ISOCYANATO-2,5-DIMETHYLBENZENERefChem:82968DTXCID6039760
이름 더 보기
2-isocyanato-1,4-dimethyl-benzen2,5-DIMETHYLPHENYL ISOCYANATE 98%2,5-Dimethylphenyl isocyanate,98%2,5-DiMethylphenyl isocyanate, 98% 1GR
627-607-940397-98-6MFCD000138542,5-dimethylbenzenisocyanateNSC152098NSC 152098UNII-4UPG772T8KSCHEMBL31597

데이터베이스 식별자

CAS
40397-98-6
PubChem CID
98605
DTXSID
DTXSID1068227
ChEBI
CHEBI:60097
UNII
4UPG772T8K
EC Number
627-607-9
Nikkaji
J410.659H

물성

구조 계산 물성

XLogP
3.5
극성 표면적
29.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
11

물리화학적 성질

끓는 점
210 °C · 210 °C(lit.)
밀도
1.043 g/mL · 1.043 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.532(lit.)
인화점
195 °F · 195 °F
저장 조건
2 · 2-8°C
물리적 상태
액체

화학적 성질

clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (11.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, 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 45 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 (88.9%)

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
hazard_code
Xn

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 2-isocyanato-1,4-dimethyl-: INACTIVE

상·하류 제품 정보

공급사36 곳

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

추가 설명

정의ChEBI: An isocyanate that consists of phenyl isocyanate bearing two additional methyl substituents at positions 2 and 5.

관련 반응

13건
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연결된 노트

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