4-브로모-2-메틸-2-부텐

2-Butene, 1-bromo-3-methyl-

HCID 70092CAS 870-63-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)=CCBr
InChIKey: LOYZVRIHVZEDMW-UHFFFAOYSA-N
분자식: C5H9Br
평균 분자량: 149.03 g/mol
단동위원소 질량: 147.98876239

이름 및 식별자

우선 이름: 2-Butene, 1-bromo-3-methyl-
IUPAC: 1-bromo-3-methylbut-2-ene
현지명: 4-브로모-2-메틸-2-부텐
영어명: 3,3-Dimethylallyl bromide
분자식: C5H9Br
분자량: 149.03

이름 및 동의어

870-63-31-Bromo-3-methylbut-2-enePrenyl bromide2-Butene, 1-bromo-3-methyl-EINECS 212-799-5DTXSID2061228RefChem:467467DTXCID9048560212-799-53,3-Dimethylallyl bromide1-Bromo-3-methyl-2-butene3-Methyl-2-butenyl bromide

이름 더 보기

1-브로모-3-메틸-2-뷰텐4-브로모-2-메틸-2-부텐4-브로모-3-메틸-2-부텐1-bromo-3-methyl-2-butenIsopentenyl bromide3,3-Dimethallylbromide4-BROMO-2-METHYL-2-BUTENE1-Brom-3-methyl-2-buten(4-2,2)IsoprenylbromideIsoaMylene broMide

1-Bromo-3-methyl-but-2-eneMFCD00000242Dimethylallyl bromide.gamma.,.gamma.-Dimethylallyl bromide1-Bromo-3-methyl-2-butene (90per cent)1-Bromo-3-methyl-2-butene (90%)2-methyl-4-bromo-2-butene3-methyl-1-bromo-2-butene

데이터베이스 식별자

CAS: 870-63-3
PubChem CID: 70092
DTXSID: DTXSID2061228
EC Number: 212-799-5
Nikkaji: J150.758C

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 51

실험 및 물리화학적 성질

SpringerMaterials PropertiesSchoenflies notation

물리화학적 성질

녹는점: -106.7 °C · -106.7°C (estimate)
끓는 점: 82 · 82-83 °C150 mm Hg(lit.)
밀도: 1.29 g/mL · 1.29 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.489(lit.)
인화점: 88 °F · 88 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 투명한 무색, 노란색 또는 갈색
Specific Gravity: 1.27 · 1.27
수용성: 물과 섞이지 않음
BRN: 1420778 · 1420778
InChI: 1S/C5H9Br/c1-5(2)3-4-6/h3H,4H2,1-2H3
InChIKey: LOYZVRIHVZEDMW-UHFFFAOYSA-N
SMILES: C\C(C)=C\CBr
NIST: 2 · 2-Butene, 1-bromo-3-methyl-(870-63-3)
EPA: 2 · 2-Butene, 1-bromo-3-methyl- (870-63-3)

화학적 성질

3,3-Dimethylallyl bromide is colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (96.3%): Causes skin irritation [Warning Skin corrosion/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 1335 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information2-Butene, 1-bromo-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (96.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2920 8/PG 2
HS 번호: 29033990
risk_code: 10-34-20/21/22-11
hazard_code: C,F
safety_code: 26-36/37/39-45-16
포장분류: III
위험 등급: 3
기존화학 물질: KE-03678
F 고인화성물질: 8-10-19-23
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Butene, 1-bromo-3-methyl-: ACTIVE

응용 분야

용도3,3-Dimethylallyl bromide is a useful source of the 3,3-dimethylallyl or prenyl group for the synthesis of natural products1 and in the synthesis of base-modified pyrimidine nucleosides.2

상·하류 제품 정보

하류 제품

1,2,3,4-Tetrahydro-4,4-dimethylquinoline ,95%Azetidine 1,1,7,7-Tetramethyljulolidine 4-(Dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulolidin-4-yl-vinyl)-4H-pyran 1,1,7,7-Tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline-9-carbaldehyde 4-메틸-3-펜테노익산 2-메틸옥탄 리코플라본C 2,2-디메틸부트-3-엔산 네릴아세테이트

공급사50 곳

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