4-브로모벤질메틸설폰

1-Bromo-4-((methylsulfonyl)methyl)benzene

HCID 2761415

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 213627-30-6
표준 SMILES: CS(=O)(=O)Cc1ccc(Br)cc1
InChIKey: CCSFLRBJHQPXFL-UHFFFAOYSA-N
분자식: C8H9BrO2S
평균 분자량: 249.13 g/mol
단동위원소 질량: 247.95066

이름 및 식별자

우선 이름: 1-Bromo-4-((methylsulfonyl)methyl)benzene
IUPAC: 1-bromo-4-(methylsulfonylmethyl)benzene
현지명: 4-브로모벤질메틸설폰
영어명: 4-Bromobenzylmethylsulfone
분자식: C8H9BrO2S
분자량: 249.12

이름 및 동의어

1-Bromo-4-((methylsulfonyl)methyl)benzene1-bromo-4-[(methylsulfonyl)methyl]benzeneRefChem:430530213627-30-64-Bromobenzylmethylsulfone1-bromo-4-(methylsulfonylmethyl)benzeneMFCD067980081-BROMO-4-(METHANESULFONYLMETHYL)BENZENE4-bromobenzyl methyl sulfoneSCHEMBL2028261DTXSID90375759CCSFLRBJHQPXFL-UHFFFAOYSA-N

이름 더 보기

4-브로모벤질메틸설폰Benzene, 1-bromo-4-[(methylsulfonyl)methyl]-

(4-bromophenyl)(methylsulfonyl)methane1-bromo-4-methanesulfonylmethylbenzeneAKOS024388252FS-4841DA-08225SY3615511-Bromo-4-[(methanesulfonyl)methyl]benzeneCS-0205068

데이터베이스 식별자

CAS: 213627-30-6
PubChem CID: 2761415
DTXSID: DTXSID90375759
EC Number: 674-553-7

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 222

물리화학적 성질

녹는점: 134 · 134-136°C
끓는 점: 409 · 409.0±28.0 °C(Predicted)
밀도: 1.562 · 1.562±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.