5-Chlorosalicylic Acid (HCID 9447)

개요

5-chlorosalicylic acid is a monohydroxybenzoic acid that is 2-hydroxybenzoic acid (salicylic acid) in which the hydrogen at position 5 is replaced by chlorine. It is a chlorobenzoic acid, a monohydroxybenzoic acid and a member of monochlorobenzenes. It is functionally related to a benzoic acid. It is a conjugate acid of a 5-chlorosalicylate.

이름 및 식별자

우선 이름: 5-Chlorosalicylic Acid
IUPAC: 5-chloro-2-hydroxybenzoic acid
영어명: 5-Chloro-2-hydroxybenzoic acid
분자식: C7H5ClO3
분자량: 172.57

이름 및 동의어

5-CHLOROSALICYLIC ACID5-Chloro-2-hydroxybenzoic acid321-14-2Benzoic acid, 5-chloro-2-hydroxy-2-Hydroxy-5-chlorobenzoic acid5 CSASalicylic acid, 5-chloro-J2YFG68VCZCHEBI:420128NSC-30111DTXSID7059806RefChem:102404

이름 더 보기

JACS-321-14-2RARECHEM AL BO 08475-Chlorosalicylic ac5-chloro-salicylicaci5-ChlorosaliclylicAcid5-chlorosalicylic aicd5-CHLOROSALICYCLIC ACID

DTXCID1038452206-283-95-Chloro-2-hydroxy-benzoic acidMFCD000024575-chloro salicylic acidCHEMBL13755-Chloro-2-hydroxybenzoicacidCCRIS 4485

데이터베이스 식별자

CAS: 321-14-2
PubChem CID: 9447
DTXSID: DTXSID7059806
ChEMBL: CHEMBL1375
ChEBI: CHEBI:420128
UNII: J2YFG68VCZ
EC Number: 206-283-9
Nikkaji: J26.969G

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 160

실험 및 물리화학적 성질

SpringerMaterials PropertiesCrystal structure

LogP2.9

물리화학적 성질

녹는점: 171 · 171-172 °C(lit.)
끓는 점: 244.67 °C · 244.67°C (rough estimate)
밀도: 1.3766 · 1.3766 (rough estimate)
굴절률: 1.458 · 1.4580 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: 1 g/L · 1g/L
산도 계수 (pKa): 1 · pK1:2.63 (25°C)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
수소이온지수(pH): 2.5 · 2.5 (H2O, 20℃)(aqueous suspension)
수용성: 1 g/L · 1g/L(20℃)
BRN: 2046665 · 2046665
화장품 원료 기능: 피부 컨디셔닝
InChI: 1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKey: NKBASRXWGAGQDP-UHFFFAOYSA-N
SMILES: OC(=O)c1cc(Cl)ccc1O
LogP: 3.09 · 3.090
NIST: 5 · 5-Chlorosalicylic acid(321-14-2)
EPA: 5 · Benzoic acid, 5-chloro-2-hydroxy- (321-14-2)

화학적 성질

OFF-WHITE TO CREAM POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (98.3%): Toxic if swallowed [Danger Acute toxicity, oral]

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 58 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 22-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/17865

5-Chloro-2-hydroxybenzoic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (98.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: VO2080000
ridadr: UN 2811 6.1/PG 3
독성: LD50 oral in rat: 250mg/kg
HS 번호: 29182990
risk_code: 22-36/38-36/37/38-20/21/22
hazard_code: Xn
safety_code: 26-36-37/39
포장분류: III
위험 등급: 6.1
기존화학 물질: KE-05698
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

UsesSynthetic Polymer MALDI Matrix Compounds

General Manufacturing InformationBenzoic acid, 5-chloro-2-hydroxy-: ACTIVE

응용 분야

용도Moth-proofing, insecticide, intermediate for pharmaceuticals, dyes, pesticides.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

추가 설명

정의ChEBI: A monohydroxybenzoic acid that is 2-hydroxybenzoic acid in which the hydrogen at position 5 is replaced by chlorine.

연결된 노트

불러오는 중…

5-Chlorosalicylic Acid

기본 정보

개요