2-Ethylphenyl isothiocyanate

HCID 2796213

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 19241-19-1
표준 SMILES: CCc1ccccc1N=C=S
InChIKey: OVAFDUCMHLFDIG-UHFFFAOYSA-N
분자식: C9H9NS
평균 분자량: 163.24 g/mol
단동위원소 질량: 163.04557029

이름 및 식별자

우선 이름: 2-Ethylphenyl isothiocyanate
IUPAC: 1-ethyl-2-isothiocyanatobenzene
영어명: 2-Ethylphenyl isothiocyanate
분자식: C9H9NS
분자량: 163.24

이름 및 동의어

2-Ethylphenyl isothiocyanate1-ethyl-2-isothiocyanatobenzeneDTXSID40383824RefChem:87005DTXCID10334848624-924-4OVAFDUCMHLFDIG-UHFFFAOYSA-N19241-19-12-ETHYLPHENylisoTHIOCYANATEBenzene, 1-ethyl-2-isothiocyanato-MFCD000410662-ethylbenzenisothiocyanate

이름 더 보기

2-Ethylphenyl isothiocyate, 98%2-ETHYLPHENYL ISOTHIOCYANATE 98%

1-Ethyl-2-isothiocyanato-benzene2-ethylphenyl-isothiocyanateSCHEMBL9458202-Ethyl-1-isothiocyanatobenzeneCHEMBL46363772-Ethylphenyl isothiocyanate, 97%SBB087721AKOS000211946

데이터베이스 식별자

CAS: 19241-19-1
PubChem CID: 2796213
DTXSID: DTXSID40383824
ChEMBL: CHEMBL4636377
EC Number: 624-924-4
Nikkaji: J410.593A

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 44.5 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

물리화학적 성질

끓는 점: 249 · 249-253 °C(lit.)
밀도: 1.076 g/mL · 1.076 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.62(lit.)
인화점: 230 °F · >230 °F
BRN: 2802909 · 2802909

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (15.2%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.