4-(Dimethylamino)phenyl isocyanate

HCID 2733372CAS 16315-59-6

기본 정보

표준 SMILES: CN(C)c1ccc(N=C=O)cc1
InChIKey: YZEHDFBYSOKBED-UHFFFAOYSA-N
분자식: C9H10N2O
평균 분자량: 162.19 g/mol
단동위원소 질량: 162.07931294

이름 및 식별자

우선 이름: 4-(Dimethylamino)phenyl isocyanate
IUPAC: 4-isocyanato-N,N-dimethylaniline
영어명: 4-DIMETHYLAMINOPHENYL ISOCYANATE
분자식: C9H10N2O
분자량: 162.19

이름 및 동의어

4-(Dimethylamino)phenyl isocyanateRefChem:515984626-663-116315-59-64-isocyanato-N,N-dimethylaniline4-DIMETHYLAMINOPHENYL ISOCYANATE4-DimethlaminophenylisocyanateBenzenamine, 4-isocyanato-N,N-dimethyl-MFCD00673054(4-isocyanato-phenyl)-dimethyl-amine4-Dimethlaminophenyl isocyanate4-Isocyanato-N,N-dimethyl-benzenamine

이름 더 보기

4-(Dimethylamino)phenyl isocyanate,97%4-(DIMETHYLAMINO)PHENYL ISOCYANATE 97%4-(Dimethylamino)phenyl isocyanate, GC 97%4-(DiMethylaMino)phenyl isocyanate, 97% 500MG4-DIMETHYLAMINOPHENYL ISOCYANATE ISO 9001：2015 REACH

4-dimethylaminophenylisocyanateSCHEMBL1639924-dimethylamino-phenylisocyanate4-Isocyanato-N,N-dimethylanilin4-(dimethylamino)benzenisocyanate4-(dimethylamino)phenylisocyanate4-dimethylamino phenyl isocyanate4-dimethylamino-phenyl-isocyanate

데이터베이스 식별자

CAS: 16315-59-6
PubChem CID: 2733372
DTXSID: DTXSID90369870
EC Number: 626-663-1
Nikkaji: J2.164.453F

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 32.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 177

물리화학적 성질

녹는점: 36 · 36-40 °C(lit.)
끓는 점: 66 °C0.3 · 66 °C0.3 mm Hg(lit.)
밀도: 1.1436 · 1.1436 (rough estimate)
굴절률: 1.56 · 1.5600 (estimate)
인화점: 230 °F · >230 °F
저장 조건: -20 °C · -20°C
산도 계수 (pKa): 4.34 · 4.34±0.24(Predicted)

화학적 성질

beige to brown crystalline low melting solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 39 reports by companies from 2 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: 29291090
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36
위험 등급: 6.1

화학 및 산업

응용 분야 · 1건

일반 설명4-(Dimethylamino)phenyl isocyanate, also known as 4-isocyanato-N,N-dimethylaniline, is an organic building block containing an isocyanate group. Its freezing point, density and refractive index are 311.15K, 1.1436g/cm3 and 1.5600 respectively. The mechanism of hydrolysis of 4-(dimethylamino)phenyl isocyanate has been studied.