4-(Methylthio)benzyl bromide

HCID 11367930

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 38185-19-2
표준 SMILES: CSc1ccc(CBr)cc1
InChIKey: QDLKMRTVELBKFE-UHFFFAOYSA-N
분자식: C8H9BrS
평균 분자량: 217.13 g/mol
단동위원소 질량: 215.96083339

이름 및 식별자

우선 이름: 4-(Methylthio)benzyl bromide
IUPAC: 1-(bromomethyl)-4-methylsulfanylbenzene
영어명: 4-(Methylthio)benzyl bromide 97
분자식: C8H9BrS
분자량: 217.13

이름 및 동의어

4-(Methylthio)benzyl bromide38185-19-2DTXSID80463735RefChem:289204DTXCID70414554627-717-7(4-(bromomethyl)phenyl)(methyl)sulfane1-(bromomethyl)-4-(methylsulfanyl)benzene1-(bromomethyl)-4-methylsulfanylbenzeneMFCD058651961-(bromomethyl)-4-(methylthio)benzene1-(bromomethyl)-4-methylsulfanyl-benzene

이름 더 보기

4-(Methylthio)benzyl bromide 974-(Methylthio)benzyl broMide 97%4-(broMoMethyl)phenyl Methyl sulfideBenzene, 1-(bromomethyl)-4-(methylthio)-

4-methylthiobenzylbromide4-methylthiobenzyl bromidepara methylthiobenzyl bromideSCHEMBL3851884-methylsulfanyl-benzyl bromideSCHEMBL111253571-bromomethyl-4-methylthiobenzeneQDLKMRTVELBKFE-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 38185-19-2
PubChem CID: 11367930
DTXSID: DTXSID80463735
EC Number: 627-717-7
Nikkaji: J856.761A

물성

구조 계산 물성

XLogP: 3
극성 표면적: 25.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 87.3

물리화학적 성질

녹는점: 43 · 43-47 °C(lit.)
끓는 점: 274.5 · 274.5±23.0 °C(Predicted)
밀도: 1.44 · 1.44±0.1 g/cm3(Predicted)
인화점: 230 °F · >230 °F
물리적 상태: solid
InChI: 1S/C8H9BrS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
InChIKey: QDLKMRTVELBKFE-UHFFFAOYSA-N
SMILES: CSc1ccc(CBr)cc1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P270, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 2923 8/PG 2
risk_code: 34-43
hazard_code: C
safety_code: 26-36/37/39-45
Hazard Classifications: Acute Tox. 3 OralSkin Corr. 1BSkin Sens. 1
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials