2-CHLORO-5-(플루오로술포닐)벤조산

2-Chloro-5-(fluorosulpho)benzoic acid

HCID 88873CAS 21346-66-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1cc(S(=O)(=O)F)ccc1Cl
InChIKey: HXVUCIYXBTYQLK-UHFFFAOYSA-N
분자식: C7H4ClFO4S
평균 분자량: 238.62 g/mol
단동위원소 질량: 237.9502856

이름 및 식별자

우선 이름: 2-Chloro-5-(fluorosulpho)benzoic acid
IUPAC: 2-chloro-5-fluorosulfonylbenzoic acid
현지명: 2-CHLORO-5-(플루오로술포닐)벤조산
영어명: 2-Chloro-5-(fluorosulfonyl)benzoic acid
분자식: C7H4ClFO4S
분자량: 238.62

이름 및 동의어

2-Chloro-5-(fluorosulfonyl)benzoic acid21346-66-72-Chloro-5-(fluorosulpho)benzoic acidDTXSID90175615EINECS 244-338-9RefChem:469216DTXCID8098106244-338-92-chloro-5-fluorosulfonylbenzoic acidMFCD000074182-Chloro-5-fluorosulfonyl-benzoic acidBenzoic acid, 2-chloro-5-(fluorosulfonyl)-

이름 더 보기

2-CHLORO-5-(플루오로술포닐)벤조산TIMTEC-BB SBB0007772-CHLORO-5-(FLUOROSULFONIC)BENZOIC ACID2-CHLORO-5-(FLUOROSULFONYL)-BENZOIC ACID 99+%2-chloro-5-(fluorosulfonyl)benzenemacetic acid

BC9AEF86JWSCHEMBL394260SBB000777AKOS0273832202-Chloro-5-(fluorosulfonyl)benzoicacidVS-0013NCGC00664816-01SY133312

데이터베이스 식별자

CAS: 21346-66-7
PubChem CID: 88873
DTXSID: DTXSID90175615
UNII: BC9AEF86JW
EC Number: 244-338-9
Nikkaji: J124.159A

물성

구조 계산 물성

XLogP: 2
극성 표면적: 79.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 323

물리화학적 성질

녹는점: 148 · 148-150 °C(lit.)
끓는 점: 370 · 370.0±32.0 °C(Predicted)
밀도: 1.5768 · 1.5768 (estimate)
산도 계수 (pKa): 2.05 · 2.05±0.25(Predicted)

화학적 성질

White to slightly brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, 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.；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.