기본 정보
- CAS
3084-53-5- 표준 SMILES
C[S+](C)C.[Br-]- InChIKey
GOTIICCWNAPLMN-UHFFFAOYSA-M- 분자식
- C3H9BrS
- 평균 분자량
- 157.08 g/mol
- 단동위원소 질량
- 155.96083
이름 및 식별자
- 우선 이름
- Sulfonium, trimethyl-, bromide (1:1)
- IUPAC
- trimethylsulfanium bromide
- 영어명
- Trimethylsulfonium bromide
- 분자식
- C3H9S.Br
- 분자량
- 157.07
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
3084-53-5- PubChem CID
- 2735154
- DTXSID
DTXSID90883945- UNII
- J59NCR7385
- EC Number
- 678-448-7
물성
구조 계산 물성
- 극성 표면적
- 1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 8
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 203 °C · 203°C
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 거의 흰색
- 수용성
- 물에 거의 녹지 않음
- BRN
- 3556022 · 3556022
- InChI
- InChI=1S/C3H9S.BrH/c1-4(2)3;/h1-3H3;1H/q+1;/p-1
- InChIKey
- GOTIICCWNAPLMN-UHFFFAOYSA-M
- SMILES
- C[S+](C)C.[Br-]
- EPA
- Sulfonium, trimethyl-, bromide (3084-53-5)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.
Warning
H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (95.7%): 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)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 47 reports by companies.;There are 5 notifications provided by 46 of 47 reports by companies with hazard statement code(s).;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
Regulatory Information
Sulfonium, trimethyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Sulfonium, trimethyl-, bromide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 29-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34299
규제 정보
Regulatory Information
Sulfonium, trimethyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Sulfonium, trimethyl-, bromide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 29-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34299
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29309090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-34684
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Sulfonium, trimethyl-, bromide (1:1): ACTIVE
응용 분야
용도Trimethylsulfonium bromide is an important pharmaceutical intermediate and chemical raw material for the preparation of methylcobalamin and epoxy resins. Methylcobalamin is the active form of vitamin B12 and is used to treat peripheral neuropathy, diabetic neuropathy, and amyotrophic lateral sclerosis.
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