CAS 60811-24-7 3,4-Difluorobenzenethiol (HCID 2778378)

이름 및 식별자

우선 이름: 3,4-Difluorobenzenethiol
IUPAC: 3,4-difluorobenzenethiol
영어명: 3,4-DIFLUOROTHIOPHENOL
분자식: C6H4F2S
분자량: 146.16

이름 및 동의어

3,4-difluorobenzenethiolRefChem:486033628-359-43,4-Difluorothiophenol60811-24-73,4-Difluoro thiophenol3,4-difluorobenzene-1-thiolBenzenethiol, 3,4-difluoro-MFCD030942793,4-difluoro benzenethiol3,4-difluorobenzene-thiol3,4-Difluorothiophenol, 96%

이름 더 보기

3,4-DIFLUOROTHIOPHEN3,4 Difluoro Thiophenole3,4-Difluorothiophenol97%3,4-Difluorothiophenol 97%3,4-Difluorobenzenethiol>3,4-Difluorobenzene-1-thiolBenzenethiol, 3,4-difluoro- (9CI)3,4-difluorothiophenol2-chlorothiophenol

DTXSID60380890AKOS009031157AC-11522PD193853D41213,4-difluoro-thiophenol3.4-DifluorobenzenethiolFT-0614270

데이터베이스 식별자

CAS: 60811-24-7
PubChem CID: 2778378
DTXSID: DTXSID60380890
EC Number: 628-359-4
Nikkaji: J2.884.307K

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 97

물리화학적 성질

녹는점: 34 °C · 34 °C
끓는 점: 169 · 169-170 °C (lit.)
밀도: 1.323 g/mL · 1.323 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.528(lit.)
인화점: 120 °F · 120 °F
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
산도 계수 (pKa): 5 · 5+-.0.10(Predicted)
색상: 무색~연황색

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 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.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
HS 번호: 29309090
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 16-26-36
포장분류: III
위험 등급: 3
위험 참고 사항: Irritant/Stench

화학 및 산업

응용 분야 · 2건

용도3,4-Difluorothiophenol may be used:To prepare a novel 3,4-difluorophenylthiomethyl group containing phthalazine derivative, which shows high cytotoxic activity.To prepare a fluorothiophenyl modified poly(vinyl chloride) membrane with improved gas permeability efficiency.As a ligand to synthesize noble metal quantum clusters (QCs).To prepare ethyl 5-(aminosulfonyl)-2-[(3,4-difluorophenyl)thio]nicotinate, an intermediate for preparing potent thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV.

일반 설명3,4-Difluorothiophenol is a halo-substituted thiol derivative.