3-브로모-2-메틸-1-프로펜

3-Bromo-2-methyl-1-propene

HCID 357785CAS 1458-98-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=C(C)CBr
InChIKey: USEGQJLHQSTGHW-UHFFFAOYSA-N
분자식: C4H7Br
평균 분자량: 135 g/mol
단동위원소 질량: 133.97311232

이름 및 식별자

우선 이름: 3-Bromo-2-methyl-1-propene
IUPAC: 3-bromo-2-methylprop-1-ene
현지명: 3-브로모-2-메틸-1-프로펜
영어명: 3-Bromo-2-methylpropene
분자식: C4H7Br
분자량: 135

이름 및 동의어

3-Bromo-2-methyl-1-propeneMethallyl bromideRefChem:498491604-496-53-Bromo-2-methylpropene1458-98-63-bromo-2-methylprop-1-ene2-(Bromomethyl)prop-1-ene2-Methylallyl Bromide1-Propene, 3-bromo-2-methyl- (9CI)MFCD001341553-bromo-2-methyl-prop-1-ene

이름 더 보기

3-브로모-2-메틸-1-프로펜3-브로모-2-메틸프로-1-엔2-methylallylbromide3-Bromo-2-methyL2-(bromomethyl)propene33-bromo-2-methylpropene

1-Propene, 3-bromo-2-methyl-Methylallyl bromide3-bromo-2-methyl propene2-Methyl-2-propenyl Bromidemethallylbromide1-Bromo-2-methyl-2-propeneNSC6173103bromo-2-methylpropene

데이터베이스 식별자

CAS: 1458-98-6
PubChem CID: 357785
DTXSID: DTXSID80326816
EC Number: 604-496-5
Nikkaji: J461.282E

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 5
형식 전하: 0
복잡도: 38.9

실험 및 물리화학적 성질

SpringerMaterials PropertiesSchoenflies notation

물리화학적 성질

녹는점: -115.07 °C · -115.07°C (estimate)
끓는 점: 94 · 94-95 °C (lit.)
밀도: 1.339 g/mL · 1.339 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.472(lit.)
인화점: 44 °F · 44 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 에틸아세테이트에 용해됨
물리적 상태: 기름
색상: 투명 무색 ~ 담황색
Specific Gravity: 1.339 · 1.339
안정성: 감광성
InChI: InChI=1S/C4H7Br/c1-4(2)3-5/h1,3H2,2H3
InChIKey: USEGQJLHQSTGHW-UHFFFAOYSA-N
SMILES: C=C(C)CBr

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 2924 3/PG 2
HS 번호: 29033990
risk_code: 11-20/22-34-51/53
hazard_code: F,C,N
safety_code: 9-16-26-29-36/37/39-45-61
포장분류: II
위험 등급: 3.1
기존화학 물질: 2013-1-680
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Flam. Liq. 2Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids
함량 및 규제정보: 물질구분: 유독물질; 혼합물(제품)함량정보: 3-브로모-2-메틸-1-프로펜 및 이를 25% 이상 함유한 혼합물
유해화학물질 필터링: 2013-1-680

화학 및 산업

응용 분야

용도3-Bromo-2-methylpropene is used as a general reagent for various organic reactions and primarily for amino acid synthesis and asymmetric amino acid synthesis.

일반 설명Rotational isomerism in 3-bromo-2-methylpropene has been studied by IR spectroscopy.

상·하류 제품 정보

하류 제품

메틸(2-)-1,4-펜타디엔 6-메틸-6-헵텐-2-온 Benzenemethanamine, 2-chloro-N-(2-methyl-2-propen-1-yl)-4-(2-시아노페닐)-2-메틸부트-1-엔 4-methoxy-3-[(2-methylprop-2-en-1-yl)oxy]benzaldehyde 2-Fluoro-4-iodo-3-(2-methylallyl)pyridine ETHYL 2-HYDROXY-2-(TRIFLUOROMETHYL)-4-METHYLPENT-4-ENOATE 97 2-[(디페닐메틸렌)아미노]-4-메틸-4-펜텐산에틸에스테르 CHEMBRDG-BB 9070809

공급사50 곳

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