Ethyl 2-bromobenzoate

HCID 80186CAS 6091-64-1

기본 정보

표준 SMILES: CCOC(=O)c1ccccc1Br
InChIKey: BIHHBTVQFPVSTE-UHFFFAOYSA-N
분자식: C9H9BrO2
평균 분자량: 229.07 g/mol
단동위원소 질량: 227.97859163

이름 및 식별자

우선 이름: Ethyl 2-bromobenzoate
IUPAC: ethyl 2-bromobenzoate
영어명: Ethyl 2-bromobenzoate
분자식: C9H9BrO2
분자량: 229.07

이름 및 동의어

Ethyl 2-bromobenzoate6091-64-1Benzoic acid, 2-bromo-, ethyl ester2-Bromobezoic acid, ethyl esterEINECS 228-034-3DTXSID80209751NSC 10122RefChem:138574DTXCID30132242228-034-3BIHHBTVQFPVSTE-UHFFFAOYSA-Nethyl o-bromobenzoate

이름 더 보기

RARECHEM AL BI 0014Ethyl 2-Bromobenzoate >Ethyl 2-bromobenzoate, 98+%Ethyl 2-broMobenzoate, 98% 25GRETHYL 2-BROMOBENZOATE FOR SYNTHESIS

2-Bromobenzoic Acid Ethyl EsterMFCD00015443ethyl bromobenzoate2-bromo-benzoic acid ethyl esterBrombenzoesaureathylesterNSC10122NSC-10122Ethyl 2-bromobenzoate, 98%

데이터베이스 식별자

CAS: 6091-64-1
PubChem CID: 80186
DTXSID: DTXSID80209751
UNII: L9R5D34BM7
EC Number: 228-034-3
Nikkaji: J227.290C

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 159

실험 및 물리화학적 성질

SpringerMaterials PropertiesDiamagnetic susceptibility

물리화학적 성질

끓는 점: 117 °C/17 · 117 °C/17 mmHg (lit.)
밀도: 1.443 g/mL · 1.443 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.544(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 디클로로메탄, 에틸아세테이트에용해됨
물리적 상태: 액체
색상: 맑은 노란색
BRN: 2207360 · 2207360
InChI: 1S/C9H9BrO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChIKey: BIHHBTVQFPVSTE-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccccc1Br
NIST: 2 · Ethyl 2-bromobenzoate(6091-64-1)

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

안전 데이터

wgk: 3
HS 번호: 29163990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도Ethyl 2-bromobenzoate is an intermediate of 7H-Benzo[c]fluorene, which is a polycyclic aomatic hydrocarbon (PAH) with mutagenic activity. 7H-Benzo[c]fluorene is a major DNA adduct-forming component of coal tar. Recent studies suggest that 7H-Benzo[c]fluorene may be capable of inducing lung tumors.

일반 설명Ethyl 2-bromobenzoate is an halobenzoic acid ethyl ester. Silylation and hydrolysis of ethyl 2-bromobenzoate has been reported.