1-브로모-1-프로펜

1-브로모-1-프로펜 · 1-브로모프로펜 · 1-브로모프로펜(1-BROMOPROPENE) · 1-Bromopropene · (1E)-1-Bromo-1-propene · TRANS-1-BROMO-1-PROPENE · 1-Bromo-1-propene, cis/trans mixture · 1-bromo-propen

https://huagongshe.com/ko/chemical/11533

식별자 및 물리적 특성

CAS No.	590-14-7
분자식	C3H5Br
평균 분자량	120.98 g/mol
단동위원소 질량	119.95746226 g/mol
SMILES	CC=CBr
InChIKey	NNQDMQVWOWCVEM-UHFFFAOYSA-N
PubChem CID	11533
EC No.	209-671-6
DTXSID	DTXSID0060438
현지명	1-브로모-1-프로펜

화학 및 물리적 성질

XLogP	1.8
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	0
무거운 원자 수	4
형식 전하	0
복잡도	22.5
물질 분류	Other Classes -> Halogenated Aliphatics, Unsaturated
SpringerMaterials Properties	Density
Physical Description	Clear, light yellow liquid[Aldrich MSDS]
녹는점	−116 °C(lit.)
끓는 점	64-65 °C(lit.)
밀도	1.420 g/mL at 20 °C(lit.)
굴절률	n20/D 1.454
인화점	5 °F
저장 조건	2-8°C
물리적 상태	투명한 액체
색상	Colorless to Light yellow to Light orange
BRN	1719096
InChI	1S/C3H5Br/c1-2-3-4/h2-3H,1H3/b3-2+
InChIKey	NNQDMQVWOWCVEM-NSCUHMNNSA-N
SMILES	C\C=C\Br
EPA	1-Propene, 1-bromo- (590-14-7)

화학적 성질

CLEAR COLOURLESS TO LIGHT YELLOW LIQUID

안전 및 규제

GHS 분류	DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 요약	Causes other liver changes in 1-week intermittent inhalation studies of rats[RTECS] A skin and strong eye irritant[Aldrich MSDS] See 1-Chloro-1-propene.
Hazard Classes and Categories	Flam. Liq. 2 (100%)
유해 작용	Neurotoxin - Acute solvent syndrome
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	UC7080000
운송 번호(UN)	UN 1993 3/PG 2
관세 코드	29033919
위험 문구(R)	11-36/37/38
위험 표시	F,Xi
안전 문구(S)	26-36
포장분류	II
위험 등급	3.1Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
기존화학 물질	KE-03710
F 고인화성물질	8
저장 분류	3 - Flammable liquids

용도

1-Bromo-1-propene upon n-BuLi treatment generates the propynyllithium anion, in situ, which later undergoes nucleophilic addition reactions. Some of its other applications are:Synthesis of organic reagents such as methyl but-2-ynoate and 1-iodopropyne.Preparation o f intermediates in the total synthesis of (+)-aphanamol I and skyllamycins A-C.Synthesis of allylated pyrazoles, aryl alkynyl sulfides and allenamides.