2-Ethylphenyl isocyanate

HCID 583486

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 40411-25-4
표준 SMILES: CCc1ccccc1N=C=O
InChIKey: ZVFNUQWYLXXSJM-UHFFFAOYSA-N
분자식: C9H9NO
평균 분자량: 147.17 g/mol
단동위원소 질량: 147.06841391

이름 및 식별자

우선 이름: 2-Ethylphenyl isocyanate
IUPAC: 1-ethyl-2-isocyanatobenzene
영어명: 2-ETHYLPHENYL ISOCYANATE
분자식: C9H9NO
분자량: 147.17

이름 및 동의어

2-Ethylphenyl isocyanate40411-25-4o-Ethylphenyl isocyanateDTXSID10342640RefChem:87004DTXCID70293720626-597-3ZVFNUQWYLXXSJM-UHFFFAOYSA-N1-Ethyl-2-isocyanatobenzene1-ethyl-2-isocyanato-benzeneMFCD000020132-ethylbenzenisocyanate

이름 더 보기

2-Ethylphenyl isocyanate,99%2-ETHYLPHENYL ISOCYANATE 99%Benzene, 1-ethyl-2-isocyanato-1-ethyl-2-isocyanatobenzene(SALTDATA: FREE)

2-ethylphenylisocyanateBenzene, ethylisocyanato-2-eth-ylphenyl isocyanate2-ethyl phenyl isocyanate2-ethyl-phenyl isocyanateSCHEMBL932901-Ethyl-2-isocyanatobenzene #SCHEMBL3591773

데이터베이스 식별자

CAS: 40411-25-4
PubChem CID: 583486
DTXSID: DTXSID10342640
EC Number: 626-597-3

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 161

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

끓는 점: 56 °C · 56°C 3mm
밀도: 1.04 · 1.04
굴절률: 1.5278 · 1.5278-1.5298
인화점: 78 °C · 78 °C
BRN: 3538910 · 3538910

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (90.9%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.