기본 정보
- CAS
13191-36-1- 표준 SMILES
Cc1cc(Br)sc1Br- InChIKey
IHFXZROPBCBLLG-UHFFFAOYSA-N- 분자식
- C5H4Br2S
- 평균 분자량
- 255.96 g/mol
- 단동위원소 질량
- 253.84005
이름 및 식별자
- 우선 이름
- 2,5-Dibromo-3-methylthiophene
- IUPAC
- 2,5-dibromo-3-methylthiophene
- 영어명
- 2,5-Dibromo-3-methylthiophene
- 분자식
- C5H4Br2S
- 분자량
- 255.96
이름 및 동의어
2,5-Dibromo-3-methylthiophene13191-36-1Thiophene, 2,5-dibromo-3-methyl-EINECS 236-147-4DTXSID40157249RefChem:82767DTXCID2079740236-147-4IHFXZROPBCBLLG-UHFFFAOYSA-NMFCD000154702,5-dibromo-3-methyl-thiopheneDibromo-3-methylthiophene
이름 더 보기
RMA-1632,5-Dibromo-3-methylthiophene>2,5-DIBROMO-3-METHYLTHIOPHENE 98%2,5-DIBROMO-3-METHYLTHIOPHENE ISO 9001:2015 REACH
HRS2JX4D432,5-Dibrom-3-methylthiophen2,5-Dibromo-3-methylthiophenSCHEMBL3188614AKOS0001215312,5-Dibromo-3-methylthiophene, 97%CS-W001197FD11808
데이터베이스 식별자
- CAS
13191-36-1- PubChem CID
- 83219
- DTXSID
DTXSID40157249- UNII
- HRS2JX4D43
- EC Number
- 236-147-4
- Nikkaji
- J213.735F
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 28.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 86.5
물리화학적 성질
- 녹는점
- 130 · 130-132 °C
- 끓는 점
- 226 · 226-230°C
- 밀도
- 1.974 g/mL · 1.974 g/mL at 25 °C
- 굴절률
- 1.613 · 1.6130
- 인화점
- 226 · 226-230°C
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 투명한 액체
- 색상
- Colorless to Light orange to Yellow
- BRN
- 108894 · 108894
- InChI
- InChI=1S/C5H4Br2S/c1-3-2-4(6)8-5(3)7/h2H,1H3
- InChIKey
- IHFXZROPBCBLLG-UHFFFAOYSA-N
- SMILES
- C1(Br)SC(Br)=CC=1C
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (88.6%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2810 6.1 / PGIII
- HS 번호
- 2930.90.2900
- risk_code
- 36/38-41-38-22
- hazard_code
- Xn
- safety_code
- 26-36/37/39-39
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
용도2,5-Dibromo-3-methylthiophene, is a building block used in chemical synthesis of various compounds.
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