3,5-디클로로벤조산메틸에스테르

Methyl 3,5-dichlorobenzoate

HCID 76192

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2905-67-1
표준 SMILES: COC(=O)c1cc(Cl)cc(Cl)c1
InChIKey: BTEVDFJXGLQUDS-UHFFFAOYSA-N
분자식: C8H6Cl2O2
평균 분자량: 205.03 g/mol
단동위원소 질량: 203.9744848

이름 및 식별자

우선 이름: Methyl 3,5-dichlorobenzoate
IUPAC: methyl 3,5-dichlorobenzoate
현지명: 3,5-디클로로벤조산메틸에스테르
영어명: 3,5-DICHLOROBENZOIC ACID METHYL ESTER
분자식: C8H6Cl2O2
분자량: 205.04

이름 및 동의어

Methyl 3,5-dichlorobenzoate2905-67-1Benzoic acid, 3,5-dichloro-, methyl esterDTXSID70421464GIM06EE3PDTXCID5022146RefChem:814670668-637-2InChI=1/C8H6Cl2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3,5-DICHLOROBENZOIC ACID METHYL ESTERMFCD00032710Methyl-3,5-dichlorobenzoate

이름 더 보기

3,5-디클로로벤조산메틸에스테르RARECHEM AL BF 0057Methylparaben Impurity 22Methyl 3,5-dichlorobenzoate 98%Methyl 3,5-dichlorobenzoate , Tech.Methyl 3,5- Dichlorobenzoate StandardMethyl-3,5-dichlorobenzoate@100 μg/mL in MeOH

Methyl3,5-dichlorobenzoateBUTTPARK 45\07-94Maybridge1_004559UNII-4GIM06EE3PSCHEMBL588343SCHEMBL1816269SCHEMBL6965570SCHEMBL9566147

데이터베이스 식별자

CAS: 2905-67-1
PubChem CID: 76192
DTXSID: DTXSID7042146
ChEMBL: CHEMBL3184246
UNII: 4GIM06EE3P
EC Number: 668-637-2
Nikkaji: J45.880E

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: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 162

물리화학적 성질

녹는점: 56 °C · 56 °C
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨, 초음파처리)
물리적 상태: 고체
색상: 흰색에서 황백색까지
InChIKey: BTEVDFJXGLQUDS-UHFFFAOYSA-N

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (88.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.