4-Methylphenyl isocyanate (HCID 69325)

개요

4-tolyl isocyanate is an isocyanate comprising a benzene core with isocyanato and methyl substituents para to each other. It has a role as an allergen and a hapten. It is a member of toluenes and a member of isocyanates.

이름 및 식별자

우선 이름: 4-Methylphenyl isocyanate
IUPAC: 1-isocyanato-4-methylbenzene
현지명: 파라-토릴 아이소사이아네이트
영어명: p-Tolyl isocyanate
분자식: C8H7NO
분자량: 133.15

이름 및 동의어

p-Tolyl isocyanate622-58-21-Isocyanato-4-methylbenzene4-Tolyl isocyanate4-Methylphenyl isocyanatep-Isocyanatotoluenep-Toluene isocyanatep-Methylphenyl isocyanate4-Isocyanatotoluenepara-tolyl isocyanatep-TMIBTR9S4N53V

이름 더 보기

파라-토릴아이소사이아네이트P-TOLYISOCYANATEp-Tolylcarbonimidep-tolueneisocyanate

DTXSID2060755CHEBI:53732RefChem:100550DTXCID4043270210-743-4p-tolylisocyanateBenzene, 1-isocyanato-4-methyl-1-isocyanato-4-methyl-benzene

데이터베이스 식별자

CAS: 622-58-2
PubChem CID: 69325
DTXSID: DTXSID2060755
ChEBI: CHEBI:53732
UNII: BTR9S4N53V
EC Number: 210-743-4
Nikkaji: J32.131A

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 141

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 155 · 155-156 °C(Solv: acetonitrile (75-05-8); hexane (110-54-3))
끓는 점: 70 · 70-72 °C/10 mmHg (lit.)
밀도: 1.056 g/mL · 1.056 g/mL at 25 °C (lit.)
증기압: 75.5 Pa · 75.5Pa at 25℃
굴절률: 20 · n20/D 1.531(lit.)
인화점: 152 °F · 152 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 맑은 약간 갈색
수용성: 7.5 g/L · 7.5g/L at 20℃
BRN: 471494 · 471494
InChI: 1S/C8H7NO/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
InChIKey: MGYGFNQQGAQEON-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)N=C=O
LogP: 1.39 · 1.39
NIST: 1 · Benzene, 1-isocyanato-4-methyl-(622-58-2)
EPA: p-Tolyl isocyanate (622-58-2)

화학적 성질

CLEAR SLIGHTLY BROWN LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 109 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 26-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/10377

Hazard Classes and CategoriesAcute Tox. 4 (99.1%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DA3681666
ridadr: 2206
HS 번호: 29299010
risk_code: 20/21/22-36/37/38-42
hazard_code: Xn
safety_code: 23-26-45-36/37/39
포장분류: II
위험 등급: 6.1
F 고인화성물질: 21
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1CSkin Sens. 1STOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-isocyanato-4-methyl-: ACTIVE

응용 분야

용도p-Tolyl isocyanate was used to study the catalytic role of supported Rhodium(I) complex toward the reductive carbonylation of nitrobenzene in DMF medium.

일반 설명p-Tolyl isocyanate reacts with human serum albumin to form antigen which helps in detecting IgE antibodies in workers hypersensitive to toluene diisocyanate.

상·하류 제품 정보

상류 원료

하류 제품

1,3-di-p-톨릴우레아

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

常州帝通化工有限公司+86-0519-88298848 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

추가 설명

정의ChEBI: An isocyanate comprising a benzene core with isocyanato and methyl substituents para to each other.

연결된 노트

불러오는 중…

파라-토릴 아이소사이아네이트

기본 정보

개요