CAS 320-72-9 3,5-Dichlorosalicylic acid (HCID 9445)

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기본 정보

CAS: 320-72-9
표준 SMILES: O=C(O)c1cc(Cl)cc(Cl)c1O
InChIKey: CNJGWCQEGROXEE-UHFFFAOYSA-N
분자식: C7H4Cl2O3
평균 분자량: 207.01 g/mol
단동위원소 질량: 205.95374935

개요

3,5-Dichlorosalicylicacid is a chlorobenzoic acid.

이름 및 식별자

우선 이름: 3,5-Dichlorosalicylic acid
IUPAC: 3,5-dichloro-2-hydroxybenzoic acid
영어명: 3,5-Dichlorosalicylic acid
분자식: C7H4Cl2O3
분자량: 207.01

이름 및 동의어

3,5-DICHLOROSALICYLIC ACID3,5-Dichloro-2-hydroxybenzoic acid320-72-9Benzoic acid, 3,5-dichloro-2-hydroxy-2-Hydroxy-3,5-dichlorobenzoic acidSalicylic acid, 3,5-dichloro-USAF DO-683,5-Dichlorosalicyclic acidDTXSID3044914O6PXR32G3VNSC-30109DTXCID1024914

이름 더 보기

usafdo-68TIMTEC-BB SBB003480RARECHEM AL BE 00323,5-Dichlorosalicyli3,5-dichloro-salicylicaci3,5-DICHLOROSSALICYLICACID3,5-Dichlorosa licglic acid

beta-CDP-3RefChem:486779206-281-8MFCD000024423,5-Dichlorosalicylicacid3,5-dichloro-2-hydroxy-benzoic acidCHEMBL44912935-Dichloro-2-hydroxybenzoic acid

데이터베이스 식별자

CAS: 320-72-9
PubChem CID: 9445
DTXSID: DTXSID3044914
ChEMBL: CHEMBL449129
ChEBI: CHEBI:165214
UNII: O6PXR32G3V

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 185

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Benzoic Acid Derivatives

Color/FormNEEDLES FROM DIL ALC, RHOMBIC PRISMS

SolubilitySLIGHTLY SOL IN HOT WATER; VERY SOL IN ALCOHOL; SOL IN ETHER

Boiling PointBP: SUBLIMES, SLIGHT DECOMP

Melting Point220-221 °C

Physical DescriptionSolid; [HSDB] Crystalline powder; [MSDSonline]

물리화학적 성질

녹는점: 220 · 220-222 °C (lit.)
끓는 점: 297.29 °C · 297.29°C (rough estimate)
밀도: 1.5281 · 1.5281 (rough estimate)
굴절률: 1.4845 · 1.4845 (estimate)
저장 조건: Inert atmosphere,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (58.8%): Harmful if swallowed [Warning Acute toxicity, oral]

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 182 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationT - indicates a substance that is the subject of a final TSCA section 4 test rule.

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesAcute Tox. 4 (58.8%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: VO2450000
HS 번호: 29182900
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 37/39-26-36
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids
유해 물질 데이터: 320-72-9(Hazardous Substances Data)

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 3,5-dichloro-2-hydroxy-: ACTIVE

응용 분야

용도3,5-Dichlorosalicylic acid is a bio-active drug and is a potential inhibitor of human 20α-hydroxysteroid dehydrogenase. It also finds its application as medicine and dyes intermediates.

일반 설명3,5-Dichlorosalicylic acid is a bio-active drug and its interaction with a model transport protein bovine serum albumin has been investigated. It is a potential inhibitor of human 20α-hydroxysteroid dehydrogenase.