4-Chloro-2-ethoxybenzoic acid

HCID 18954604

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부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1195264-76-6
표준 SMILES: CCOc1cc(Cl)ccc1C(=O)O
InChIKey: JYELDIDGIRZNPI-UHFFFAOYSA-N
분자식: C9H9ClO3
평균 분자량: 200.62 g/mol
단동위원소 질량: 200.0240218

이름 및 식별자

우선 이름: 4-Chloro-2-ethoxybenzoic acid
IUPAC: 4-chloro-2-ethoxybenzoic acid
영어명: 4-Chloro-2-ethoxybenzoic Acid
분자식: C9H9ClO3
분자량: 200.62

이름 및 동의어

4-chloro-2-ethoxybenzoic acid1195264-76-6RefChem:521025869-078-94-chloro-2-ethoxy-benzoic acid4-chloro-2-ethoxybenzoicacidSCHEMBL1546386JYELDIDGIRZNPI-UHFFFAOYSA-NVXB26476MFCD14646682AKOS009076682CS-0232703

이름 더 보기

Benzoic acid, 4-chloro-2-ethoxy-

E90932EN300-128214F651053Z149256332

데이터베이스 식별자

CAS: 1195264-76-6
PubChem CID: 18954604
EC Number: 869-078-9

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 184

물리화학적 성질

끓는 점: 326.1 · 326.1±22.0 °C(Predicted)
밀도: 1.299 · 1.299±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.98 · 3.98±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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, P270, P271, P280, P301+P317, 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 2 reports by companies from 1 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.