(1-Isothiocyanatoethyl)benzene

HCID 20559

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 24277-43-8
표준 SMILES: CC(N=C=S)c1ccccc1
InChIKey: QQCJPTVZIZVKEZ-UHFFFAOYSA-N
분자식: C9H9NS
평균 분자량: 163.24 g/mol
단동위원소 질량: 163.04557046

이름 및 식별자

우선 이름: (1-Isothiocyanatoethyl)benzene
IUPAC: 1-isothiocyanatoethylbenzene
영어명: 1-Phenylethyl isothiocyanate
분자식: C9H9NS
분자량: 163.24

이름 및 동의어

(1-Isothiocyanatoethyl)benzenealpha-Methylbenzyl isothiocyanateDTXSID90947112RefChem:392239DTXCID101375378667-449-8679-466-81-Phenylethyl isothiocyanate4478-92-632393-32-11-isothiocyanatoethylbenzeneDL-alpha-Methylbenzyl isothiocyanate

이름 더 보기

(+/-)-1-Phenylethyl isocyanate1-Phenethylisothiocyanate , 97%dl-à-methylbenzyl isothiocyanate(n)-1-phenylethyl isothiocyanate(+/-)-1-Phenylethyl isocyanate-97%(+/-)-1-Phenylethyl isothiocyanate(±)-1-Phenylethylisothiocyanate,97%DL-alpha-Methylbenzyl isothiocyanate,98%isothiocyanicacid,(alpha-methylbenzyl)ester

Benzene, (1-isothiocyanatoethyl)-MFCD00022061DL-.alpha.-Methylbenzyl isothiocyanate(r)-(-)-1-phenylethyl isothiocyanateL-alpha-Methylbenzyl isothiocyanate1-phenylethanisothiocyanateBenzene, (1-isothiocyanatoethyl)-, (A+/-)-NSC 221236

데이터베이스 식별자

CAS: 24277-43-8、24277-44-9、32393-32-1、4478-92-6
PubChem CID: 20559
DTXSID: DTXSID90947112
ChEMBL: CHEMBL2251720
EC Number: 667-449-8、679-466-8
Nikkaji: J41.500F

물성

구조 계산 물성

XLogP: 3.5
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: 155

물리화학적 성질

끓는 점: 132 °C · 132 °C
밀도: 1 · 1,06 g/cm3
굴절률: 1.581 · 1.5810
인화점: 103 °C · 103°C
물리적 상태: 액체
색상: 클리어, 옐로우
BRN: 2207685 · 2207685

화학적 성질

yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.