1-(Bromomethyl)-4-(propane-2-sulfonyl)benzene

HCID 67219758

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 942199-51-1
표준 SMILES: CC(C)S(=O)(=O)c1ccc(CBr)cc1
InChIKey: KLIADIYQTGCHJS-UHFFFAOYSA-N
분자식: C10H13BrO2S
평균 분자량: 277.18 g/mol
단동위원소 질량: 275.98196

이름 및 식별자

우선 이름: 1-(Bromomethyl)-4-(propane-2-sulfonyl)benzene
IUPAC: 1-(bromomethyl)-4-propan-2-ylsulfonylbenzene

이름 및 동의어

942199-51-11-(bromomethyl)-4-(propane-2-sulfonyl)benzeneSCHEMBL1941299KLIADIYQTGCHJS-UHFFFAOYSA-NDA-403071-(bromomethyl)-4-(isopropylsulfonyl)benzene1-Bromomethyl-4-(propane-2-sulfonyl)-benzeneEN300-8745415

데이터베이스 식별자

CAS: 942199-51-1
PubChem CID: 67219758
EC Number: 186-176-0

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 258

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.