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기본 정보
- CAS
82657-76-9- 표준 SMILES
CS(=O)(=O)c1cccc(CBr)c1- InChIKey
JRXBZWXKAYJVRI-UHFFFAOYSA-N- 분자식
- C8H9BrO2S
- 평균 분자량
- 249.13 g/mol
- 단동위원소 질량
- 247.95066
이름 및 식별자
- 우선 이름
- 1-(Bromomethyl)-3-methanesulfonylbenzene
- IUPAC
- 1-(bromomethyl)-3-methylsulfonylbenzene
- 현지명
- 3-(메틸술포닐)벤질브로마이드
- 영어명
- 3-(Methylsulphonyl)benzyl bromide 97%
- 분자식
- C8H9BrO2S
- 분자량
- 249.12
이름 및 동의어
1-(bromomethyl)-3-methanesulfonylbenzeneRefChem:427292638-927-31-(Bromomethyl)-3-(methylsulfonyl)benzene82657-76-93-(Methylsulfonyl)benzyl bromide3-(Methylsulphonyl)benzyl bromideMFCD120251601-(bromomethyl)-3-methylsulfonylbenzene1-Bromomethyl-3-methanesulfonyl-benzene1-(bromomethyl)-3-methylsulfonyl-benzeneBenzene, 1-(bromomethyl)-3-(methylsulfonyl)-
이름 더 보기
3-(메틸술포닐)벤질브로마이드3-Methylsulfonylbenzyl bromide3-(Methylsulphonyl)benzylbromide97%3-(Methylsulphonyl)benzyl bromide 97%3-(Methylsulphonyl)benzyl bromide 97%1-(Bromomethyl)-3-(methylsulphonyl)benzene1-(Bromomethyl)-3-(methylsulphonyl)benzene, 3-(Bromomethyl)phenyl methyl sulphone
SCHEMBL533931SCHEMBL29411715DTXSID00625732JRXBZWXKAYJVRI-UHFFFAOYSA-N3-bromomethylphenyl methyl sulphone3-(Methyl sulphonyl) benzyl bromide1-bromomethyl-3-methanesulfonylbenzeneAKOS016002487
데이터베이스 식별자
- CAS
82657-76-9- PubChem CID
- 22456694
- DTXSID
DTXSID00625732- EC Number
- 638-927-3
물성
구조 계산 물성보충 중
- XLogP
- 1.2
- 극성 표면적
- 42.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 230
물리화학적 성질
- 끓는 점
- 390 · 390.0±34.0 °C(Predicted)
- 밀도
- 1.55 · 1.550±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 가루
- 색상
- Beige to faint lemon
- InChI
- 1S/C8H9BrO2S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3
- InChIKey
- JRXBZWXKAYJVRI-UHFFFAOYSA-N
- SMILES
- CS(=O)(C1=CC=CC(CBr)=C1)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Corr. 1B (66.7%)
안전 데이터
- ridadr
- 3261
- HS 번호
- 2930909899
- 포장분류
- Ⅲ
- 위험 등급
- 8
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
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