4-비페닐술폰산

(1,1'-Biphenyl)-4-sulfonic acid

HCID 16673CAS 2113-68-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=S(=O)(O)c1ccc(-c2ccccc2)cc1
InChIKey: XDTYUYVIGLIFCW-UHFFFAOYSA-N
분자식: C12H10O3S
평균 분자량: 234.27 g/mol
단동위원소 질량: 234.03506518

이름 및 식별자

우선 이름: (1,1'-Biphenyl)-4-sulfonic acid
IUPAC: 4-phenylbenzenesulfonic acid
현지명: 4-비페닐술폰산
영어명: 4-BIPHENYLSULFONIC ACID
분자식: C12H10O3S
분자량: 234.27

이름 및 동의어

2113-68-0[1,1'-Biphenyl]-4-sulfonic acid4-Hydroxybiphenyl-O-sulfonic acidDTXSID5062186(1,1'-Biphenyl)-4-sulfonic acidHBPSARefChem:68073DTXCID4036431621-734-34-Biphenylsulfonic acid4-phenylbenzenesulfonic acid4-Sulfobiphenyl

이름 더 보기

4-비페닐술폰산SKL244TIMTEC-BB SBB007647[1,1’-biphenyl]-4-sulfonicacid1,1'-Biphenyl]-4-sulfonic acid

Biphenyl-4-sulfonic acidp-Biphenylsulfonic acidp-Diphenylsulfonic acid[1,1'-Biphenyl]-4-sulfonicacidMFCD000147334-Biphenylsulfonic4-Biphenylsuifonic acid4-Biphenyl sulfonic acid

데이터베이스 식별자

CAS: 2113-68-0
PubChem CID: 16673
DTXSID: DTXSID5062186
EC Number: 621-734-3
Nikkaji: J21.951G

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 62.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 304

물리화학적 성질

녹는점: 135 · 135-138°C
밀도: 1.319 · 1.319±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature, keep dry and cool
산도 계수 (pKa): -0.61 · -0.61±0.50(Predicted)
수용성: 물에 용해됩니다.
BRN: 2107412 · 2107412
InChIKey: XDTYUYVIGLIFCW-UHFFFAOYSA-N
EPA: 1 · [1,1'-Biphenyl]-4-sulfonic acid (2113-68-0)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (90.7%)

안전 데이터

tsca: TSCA listed
risk_code: 36/37/38
safety_code: 26-36/37/39
위험 등급: 8

화학 및 산업

용도 및 제조

General Manufacturing Information[1,1'-Biphenyl]-4-sulfonic acid: ACTIVE

응용 분야

용도Biphenyl-4-sulfonic acid hydrate is used as a catalyst for the hydrolysis of cellulose to prepare D-glucose with higher yield. It is a better catalyst than sulfuric acid for cellulose hydrolysis.