Methyl 2,3-dibromopropionate (HCID 95428)

이름 및 식별자

우선 이름: Methyl 2,3-dibromopropionate
IUPAC: methyl 2,3-dibromopropanoate
영어명: Methyl 2,3-dibromopropionate
분자식: C4H6Br2O2
분자량: 245.9

이름 및 동의어

Methyl 2,3-dibromopropionateMethyl 2,3-dibromopropanoate1729-67-5Propanoic acid, 2,3-dibromo-, methyl esterCaswell No. 561Propionic acid, 2,3-dibromo-, methyl esterDTXSID2042145UNII-69GU2PIR6V69GU2PIR6VMethyl .alpha.,.beta.-dibromopropionateMethyl alpha,beta-dibromopropionateNSC 9372

이름 더 보기

Nsc9372>=99.5% (GC)methyl-2,3-dibromo2,3-DibromopropionateMethyl dibromopropionate2-Methyl broMohexanoic acidMethyl a,b-dibromopropionate2,3-DibroMopropionate Methyl

NSC-9372EINECS 217-044-3EPA Pesticide Chemical Code 077706AI3-50603DTXCID00221452,3-DIBROMOPROPANOIC ACID METHYL ESTER2,3-DIBROMOPROPIONIC ACID METHYL ESTERNSC-372

데이터베이스 식별자

CAS: 1729-67-5
PubChem CID: 95428
DTXSID: DTXSID2042145
ChEMBL: CHEMBL3183093
UNII: 69GU2PIR6V
EC Number: 217-044-3
Nikkaji: J7.762C

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 26.3 Å²
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

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Esters

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

끓는 점: 83 · 83-86 °C/10 mmHg (lit.)
밀도: 1.944 g/mL · 1.944 g/mL at 20 °C (lit.)
증기압: 1.3 hPa · 1.3hPa at 20℃
굴절률: 20 · n20/D 1.514
인화점: -33 °C · -33 °C
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
수용성: 2.6 g/L · 2.6g/L at 20℃
BRN: 1750190 · 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: 2 · 2
NIST: 2 · Methyl 2,3-dibromopropionate(1729-67-5)
EPA: 2 · Methyl 2,3-dibromopropionate (1729-67-5)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (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.

유해성 정보

Regulatory InformationStatus: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18675

Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See Methyl 2-bromopropionate.

Hazard Classes and CategoriesSkin Irrit. 2 (11.1%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2398 3/PG 2
HS 번호: 2916199590
risk_code: 36/37-40-36/37/38-38-11
hazard_code: Xi,F
safety_code: 26-36-16-24-9
Hazard Classifications: Eye Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

Uses · 2건

Formerly registered in the US for the control of bacteria and fungi in industrial recirculating water systems; [NPIRS]

Using Disinfectants or Biocides [Category: Clean]

General Manufacturing InformationPropanoic acid, 2,3-dibromo-, methyl ester: INACTIVE

응용 분야

용도Methyl 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 설명Methyl 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.