메틸3-(브로모메틸)-2-벤조푸란카르복실레이트

Methyl 3-(bromomethyl)-2-benzofurancarboxylate

HCID 100838CAS 58763-73-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1oc2ccccc2c1CBr
InChIKey: DUXQSFDZZHXQGM-UHFFFAOYSA-N
분자식: C11H9BrO3
평균 분자량: 269.09 g/mol
단동위원소 질량: 267.97351

이름 및 식별자

우선 이름: Methyl 3-(bromomethyl)-2-benzofurancarboxylate
IUPAC: methyl 3-(bromomethyl)-1-benzofuran-2-carboxylate
현지명: 메틸3-(브로모메틸)-2-벤조푸란카르복실레이트
영어명: methyl 3-(bromomethyl)-2-benzofurancarboxylate
분자식: C11H9BrO3
분자량: 269.09

이름 및 동의어

58763-73-8Methyl 3-(bromomethyl)-2-benzofurancarboxylateEINECS 261-428-3DTXSID20207498RefChem:157428DTXCID20129989261-428-3methyl 3-(bromomethyl)-1-benzofuran-2-carboxylateMFCD09971574Methyl 3-(bromomethyl)benzofuran-2-carboxylateSCHEMBL4450853-Bromomethylbenzofuran-2-carboxylic acid methyl ester

이름 더 보기

메틸3-(브로모메틸)-2-벤조푸란카르복실레이트3-(Bromomethyl)benzofuran-2-carboxylic acid methyl ester2-Benzofurancarboxylic acid, 3-(bromomethyl)-, methyl ester

AKOS009222605DB-319891CS-0246183methyl 3-bromomethylbenzofuran-2-carboxylateNS00034013EN300-31871Methyl 3- bromomethylbenzofuran-2-carboxylateMethyl3-(bromomethyl)benzofuran-2-carboxylate

데이터베이스 식별자

CAS: 58763-73-8
PubChem CID: 100838
DTXSID: DTXSID20207498
EC Number: 261-428-3
Nikkaji: J297.022H

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 39.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 244

물리화학적 성질

끓는 점: 357.4 · 357.4±32.0 °C(Predicted)
밀도: 1.548 · 1.548±0.06 g/cm3(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, 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.