4'-클로로-비페닐-4-카복실산

4-Biphenylcarboxylic acid, 4'-chloro-

HCID 616002CAS 5748-41-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIKey: FIMRRWLTRBEAOM-UHFFFAOYSA-N
분자식: C13H9ClO2
평균 분자량: 232.66 g/mol
단동위원소 질량: 232.02910721

이름 및 식별자

우선 이름: 4-Biphenylcarboxylic acid, 4'-chloro-
IUPAC: 4-(4-chlorophenyl)benzoic acid
현지명: 4'-클로로-비페닐-4-카복실산
영어명: 4'-CHLORO-BIPHENYL-4-CARBOXYLIC ACID
분자식: C13H9ClO2
분자량: 232.66

이름 및 동의어

5748-41-44'-Chloro-4-biphenylcarboxylic acid4-Biphenylcarboxylic acid, 4'-chloro-DTXSID10206096RefChem:290380DTXCID101285874'-Chloro-[1,1'-biphenyl]-4-carboxylic acid4-(4-chlorophenyl)benzoic acid4'-Chloro-biphenyl-4-carboxylic acid4'-chlorobiphenyl-4-carboxylic acid4'-Chloro[1,1'-biphenyl]-4-carboxylic acidMFCD03424592

이름 더 보기

4'-클로로-비페닐-4-카복실산AKOS BAR-0007RARECHEM AL BE 12394-(4-Chlorophenyl)benzoic acid 95%

[1,1'-Biphenyl]-4-carboxylic acid, 4'-chloro-4-Biphenyl-4'-chloro-carboxylic acidCHEMBL1057864''-Chloro-biphenyl-4-carboxylic acid2X-07024'-Chloro[1,1'-biphenyl]-4-carboxylic acid #4-[4-Chlorophenyl]benzoic acid4 inverted exclamation mark -Chloro-[1,1 inverted exclamation mark -biphenyl]-4-carboxylic Acid

데이터베이스 식별자

CAS: 5748-41-4
PubChem CID: 616002
DTXSID: DTXSID10206096
ChEMBL: CHEMBL105786
EC Number: 804-082-6
Nikkaji: J1.585.417K

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 238

물리화학적 성질

녹는점: 293 · 293-296°C
끓는 점: 398.5 · 398.5±25.0 °C(Predicted)
밀도: 1.298 · 1.298±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 4.08 · 4.08±0.10(Predicted)
InChI: 1S/C13H9ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)
InChIKey: FIMRRWLTRBEAOM-UHFFFAOYSA-N

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: UN 3077 9 / PGIII
HS 번호: 2916399090
risk_code: 22-36/37/38-51/53
hazard_code: Xi,N,Xn
safety_code: 26-61
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids