3,5-디클로로-2,6-디메톡시벤조산

3,5-Dichloro-2,6-dimethoxybenzoic Acid

HCID 2774750

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 73219-91-7
표준 SMILES: COc1c(Cl)cc(Cl)c(OC)c1C(=O)O
InChIKey: JPIAALCEQSLBKF-UHFFFAOYSA-N
분자식: C9H8Cl2O4
평균 분자량: 251.06 g/mol
단동위원소 질량: 249.9799641

이름 및 식별자

우선 이름: 3,5-Dichloro-2,6-dimethoxybenzoic Acid
IUPAC: 3,5-dichloro-2,6-dimethoxybenzoic acid
현지명: 3,5-디클로로-2,6-디메톡시벤조산
영어명: 3,5-Dichloro-2,6-dimethoxybenzoic acid
분자식: C9H8Cl2O4
분자량: 251.06

이름 및 동의어

3,5-dichloro-2,6-dimethoxybenzoic acid73219-91-7DTXSID10379198RefChem:271635DTXCID10330224630-133-5C9H8Cl2O43,5-Dichloro-2,6-dimethoxy-benzoic acidMFCD001739103,5-Dichloro-2,6-dimethoxybenzoicAcidOprea1_675751CCG-44342

이름 더 보기

3,5-디클로로-2,6-디메톡시벤조산3,5-dichloro-2,6-dimethoxybenzoate3,5-Dichloro-2,6-dimethoxybenzoicAcid>Benzoic acid, 3,5-dichloro-2,6-dimethoxy-3,5-DICHLORO-2,6-DIMETHOXYBENZOIC ACID 98%

AKOS016846149AS-63658D4133SR-01000634183-1Maybridge1_001772SCHEMBL1323406HMS546I12FD69831

데이터베이스 식별자

CAS: 73219-91-7
PubChem CID: 2774750
DTXSID: DTXSID10379198
EC Number: 630-133-5
Nikkaji: J1.212.416C

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 220

물리화학적 성질

녹는점: 99 · 99-101°C
끓는 점: 362.3 · 362.3±37.0 °C(Predicted)
밀도: 1.443 · 1.443±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: DCM에 용해됨
산도 계수 (pKa): 3.24 · 3.24±0.10(Predicted)
물리적 상태: 고체
색상: 옅은 노랑

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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+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 2 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.