4-Ethylphenyl isocyanate

HCID 90007

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 23138-50-3
표준 SMILES: CCc1ccc(N=C=O)cc1
InChIKey: FWPYUSLQCQDLJR-UHFFFAOYSA-N
분자식: C9H9NO
평균 분자량: 147.17 g/mol
단동위원소 질량: 147.06841391

이름 및 식별자

우선 이름: 4-Ethylphenyl isocyanate
IUPAC: 1-ethyl-4-isocyanatobenzene
영어명: 4-ETHYLPHENYL ISOCYANATE
분자식: C9H9NO
분자량: 147.17

이름 및 동의어

1-ethyl-4-isocyanatobenzene4-Ethylphenyl isocyanatep-Ethylphenyl isocyanateBenzene, 1-ethyl-4-isocyanato-G7N9K55SX2DTXSID60177702RefChem:98915DTXCID80100193FWPYUSLQCQDLJR-UHFFFAOYSA-N23138-50-31-ethyl-4-isocyanato-benzene4-Ethylphenylisocyanate

이름 더 보기

4-EthylphenylIsocyanate>1-Ethyl-4-isocyanato-benzene4-Ethylphenyl isocyanate-98%Isocyanic Acid 4-Ethylphenyl Ester1-ethyl-4-isocyanatobenzene(SALTDATA: FREE)

4-Ethyl phenylisocyanateMFCD000138814-ethyl-phenyl-isocyanateBBL037654STK5025484-ethylbenzenisocyanateD90562EN300-146980

데이터베이스 식별자

CAS: 23138-50-3
PubChem CID: 90007
DTXSID: DTXSID60177702
UNII: G7N9K55SX2
EC Number: 245-446-9
Nikkaji: J318.410B

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: 153

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

끓는 점: 68 °C1 · 68 °C1 mm Hg(lit.)
밀도: 1.024 g/mL · 1.024 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.527(lit.)
인화점: 190 °F · 190 °F
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
BRN: 971100 · 971100

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, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.