Methyl 2,3-dibromopropionate

METHYL 2,3-DIBROMOPROPANOATE · Nsc9372 · >=99.5% (GC) · methyl-2,3-dibromo · 2,3-Dibromopropionate · Methyl dibromopropionate · 2-Methyl broMohexanoic acid · METHYL 2,3-DIBROMOPROPIONATE

https://huagongshe.com/ko/chemical/95428

식별자 및 물리적 특성

CAS No.	1729-67-5
분자식	C4H6Br2O2
평균 분자량	245.9 g/mol
단동위원소 질량	243.87345363 g/mol
SMILES	COC(=O)C(Br)CBr
InChIKey	ROXQOUUAPQUMLN-UHFFFAOYSA-N
PubChem CID	95428
ChEMBL	CHEMBL3183093
EC No.	217-044-3
DTXSID	DTXSID2042145

화학 및 물리적 성질

XLogP	1.7
극성 표면적	26.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	3
무거운 원자 수	8
형식 전하	0
복잡도	84.1
물질 분류	Other Classes -> Halogenated Esters
Physical Description	Clear colorless liquid[Sigma-Aldrich MSDS]
끓는 점	83-86 °C/10 mmHg (lit.)
밀도	1.944 g/mL at 20 °C (lit.)
증기압	1.3hPa at 20℃
굴절률	n20/D 1.514
인화점	-33 °C
저장 조건	2-8°C
물리적 상태	투명한 액체
색상	무색 내지 거의 무색
용해도	2.6g/L at 20℃
BRN	1750190
InChI	InChI=1S/C4H6Br2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3
InChIKey	ROXQOUUAPQUMLN-UHFFFAOYSA-N
SMILES	C(OC)(=O)C(Br)CBr
LogP(분배 계수)	2
NIST	Methyl 2,3-dibromopropionate(1729-67-5)
EPA	Methyl 2,3-dibromopropionate (1729-67-5)

안전 및 규제

GHS 분류	WarningH315 (11.1%): 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 54 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18675
유해성 요약	An irritant[Sigma-Aldrich MSDS] See Methyl 2-bromopropionate.
Hazard Classes and Categories	Skin Irrit. 2 (11.1%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 2398 3/PG 2
관세 코드	2916199590
위험 문구(R)	36/37-40-36/37/38-38-11
위험 표시	Xi,F
안전 문구(S)	26-36-16-24-9
위험 등급	Eye Irrit. 2STOT SE 3
저장 분류	10 - Combustible liquids

용도

Methyl 2,3-dibromopropionate may be used in the preparation of methyl 2-azidoacrylate. It may be used in the preparation of methyl (+)-(1′R, 2R) and (-)-(1′R, 2S)-1-(2-phenylethanol)aziridine-2-carboxylates.

일반 설명

Methyl 2,3-dibromopropionate is the methyl ester of 2,3-dibromopropanoic acid. It reacts with 2-acetamido-3-hydroxypyridine to give 2-substituted pyrido-oxazine.