메틸2-(2-브로모페닐)아세테이트

Methyl 2-(2-bromophenyl)acetate

HCID 8063364

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 57486-69-8
표준 SMILES: COC(=O)Cc1ccccc1Br
InChIKey: AMVCFIFDMKEIRE-UHFFFAOYSA-N
분자식: C9H9BrO2
평균 분자량: 229.07 g/mol
단동위원소 질량: 227.97859163

이름 및 식별자

우선 이름: Methyl 2-(2-bromophenyl)acetate
IUPAC: methyl 2-(2-bromophenyl)acetate
현지명: 메틸2-(2-브로모페닐)아세테이트
영어명: Methyl 2-(2-bromophenyl)acetate
분자식: C9H9BrO2
분자량: 229.07

이름 및 동의어

methyl 2-(2-bromophenyl)acetate57486-69-8DTXSID00429055RefChem:353792DTXCID00379889691-774-4Methyl 2-BromophenylacetateMFCD077794302-bromophenylacetic acid methyl estermethyl (2-bromophenyl)acetate(2-BROMO-PHENYL)-ACETIC ACID METHYL ESTERMethyl 2-(2-bromophenyl);acetate

이름 더 보기

메틸2-(2-브로모페닐)아세테이트2-broMobenzyl acetateMethyl 2-(2-bromophenyl)Methyl o-bromophenylacetate(2-BroMophenyl)Methyl acetateMethyl 2-bromophenylacetate 98%2-(2-bromophenyl) methyl acetateMethyl 2-(2-bromophenyl)acetate 98%

methyl2-BromophenylacetateBenzeneacetic acid, 2-bromo-, methyl estermethyl-2-bromophenylacetateMethyl 2-bromobenzeneacetatemethyl(2-bromophenyl)acetatemethyl ortho-bromophenylacetateSCHEMBL965852SCHEMBL31042998

데이터베이스 식별자

CAS: 57486-69-8
PubChem CID: 8063364
DTXSID: DTXSID00429055
EC Number: 691-774-4
Nikkaji: J472.796G

물성

구조 계산 물성

XLogP: 2.4
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

물리화학적 성질

끓는 점: 264 ℃ · 264℃
밀도: 1.445 · 1.445
인화점: 114 ℃ · 114℃
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
물리적 상태: 액체
색상: 옅은 노랑
InChI: InChI=1S/C9H9BrO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
InChIKey: AMVCFIFDMKEIRE-UHFFFAOYSA-N
SMILES: C1(CC(OC)=O)=CC=CC=C1Br

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2916399090
hazard_code: Xi
위험 참고 사항: Irritant/Keep Cold

화학 및 산업

응용 분야 · 1건

용도Methyl 2-(2-bromophenyl)acetate is a reagent in the synthesis of 2,3,3a,12b-Tetradehydro Asenapine (T291630). 2,3,3a,12b-Tetradehydro Asenapine is a degredation product of Asenapine (A788000), a combined serotonin (5HT2) and dopamine (D2) receptor antagonist; structurally related to Mianserin. Antipsychotic.