에틸 2,3-이브로모프로피오네이트

Ethyl 2,3-dibromopropionate

HCID 97945CAS 3674-13-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C(Br)CBr
InChIKey: OENICUBCLXKLJQ-UHFFFAOYSA-N
분자식: C5H8Br2O2
평균 분자량: 259.92 g/mol
단동위원소 질량: 257.8891037

이름 및 식별자

우선 이름: Ethyl 2,3-dibromopropionate
IUPAC: ethyl 2,3-dibromopropanoate
현지명: 에틸 2,3-이브로모프로피오네이트
영어명: Ethyl 2,3-dibromopropionate
분자식: C5H8Br2O2
분자량: 259.92

이름 및 동의어

Ethyl 2,3-dibromopropionateEthyl 2,3-dibromopropanoatePropanoic acid, 2,3-dibromo-, ethyl esterA5XYS8QB3E2,3-Dibromopropanoic acid ethyl esterNSC-60552DTXSID80871038RefChem:138518DTXCID50818713OENICUBCLXKLJQ-UHFFFAOYSA-N3674-13-3Ethyl2,3-dibromopropionate

이름 더 보기

에틸2,3-이브로모프로피오네이트에틸2,3-이브로모프로피오네이트2,3-dibroMopentanoateEthyl 2,3-dibroMopropiEthyl 2,3-dibromopronateEthyl 2,3-dibromopropioteEthyl2,3-Dibromopropionate>Ethyl 2,3-dibromo-propionoateEthyl 2,3-dibromopropionate,99%2,3-Ethyl dibroMopropionic acid

C5H8Br2O2Propionic acid, 2,3-dibromo-, ethyl ester2,3-Dibromopropionic Acid Ethyl EsterETHYL-2,3-DIBROMOPROPIONATEMFCD00000212Ethyl .alpha.,.beta.-dibromopropionate2,3-Dibromo-propionic acid ethyl esterEthyl alpha,beta-dibromopropionate

데이터베이스 식별자

CAS: 3674-13-3
PubChem CID: 97945
DTXSID: DTXSID80871038
UNII: A5XYS8QB3E
EC Number: 222-941-8
Nikkaji: J205.586D

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 95

물리화학적 성질

끓는 점: 211 · 211-214 °C/746 mmHg (lit.)
밀도: 1.788 g/mL · 1.788 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5(lit.)
인화점: 197 °F · 197 °F
저장 조건: 30 °C · Store below +30°C.
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
Specific Gravity: 1.785 · 1.785
수용성: 불용성
BRN: 636046 · 636046
InChI: InChI=1S/C5H8Br2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3
InChIKey: OENICUBCLXKLJQ-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(Br)CBr
NIST: 2 · Propanoic acid, 2,3-dibromo-, ethyl ester(3674-13-3)
EPA: 2 · Ethyl 2,3-dibromopropionate (3674-13-3)

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311 (37.7%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]

P260, P262, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 77 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 16-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/24693

Ethyl 2,3-dibromopropionate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: UA2458382
ridadr: UN 2922 8/PG 2
독성: LD50 orally in Rabbit: 240 mg/kg LD50 dermal Rabbit 230 mg/kg
HS 번호: 29159080
risk_code: 22-24-34
hazard_code: T
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
기존화학 물질: KE-09952
F 고인화성물질: 19-21
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanoic acid, 2,3-dibromo-, ethyl ester: ACTIVE

응용 분야

용도Ethyl 2,3-dibromopropionate is used as pharmaceutical Intermediates. It is a building block that has been used as a catalyst for the polymerization of ethyl acrylate.