CAS 461-18-7 4,4,4-Trifluorobutan-1-ol (HCID 136307)

기본 정보

CAS: 461-18-7
표준 SMILES: OCCCC(F)(F)F
InChIKey: VKRFUGHXKNNIJO-UHFFFAOYSA-N
분자식: C4H7F3O
평균 분자량: 128.09 g/mol
단동위원소 질량: 128.0448995

이름 및 식별자

우선 이름: 4,4,4-Trifluorobutan-1-ol
IUPAC: 4,4,4-trifluorobutan-1-ol
현지명: 4,4,4-트리플루오로-1-부타놀
영어명: 4,4,4-TRIFLUORO-1-BUTANOL
분자식: C4H7F3O
분자량: 128.09

이름 및 동의어

4,4,4-Trifluoro-1-butanol4,4,4-trifluorobutan-1-olRefChem:506981610-282-2461-18-74,4,4-Trifluorobutanol4,4,4-trifluoro-butan-1-ol4,4,4-trifluorobutanol-1MFCD000414831-BUTANOL, 4,4,4-TRIFLUORO-SCHEMBL790294,4,4-Trifluoro-1-butanol #

이름 더 보기

4,4,4-트리플루오로-1-부타놀4,4,4-Trifluoro-n-butanolTrifluorobutanol4,4,4-trifluoroprolol4,4,4-Trifluorobutan-14,4,4-Trifluoro-1-butano4,4,4-Trifluorobutanol,98%

DTXSID40196714SB40515EN300-639624,4,4-Trifluorobutane-1-olA6485FT-0616971SCHEMBL79028SCHEMBL1515369

데이터베이스 식별자

CAS: 461-18-7
PubChem CID: 136307
DTXSID: DTXSID40196714
ChEMBL: CHEMBL4438811
EC Number: 610-282-2
Nikkaji: J1.150.119B

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 58.8

실험 및 물리화학적 성질

PFASPFAS -> F-telomer alcohols (FTOH)

LogP0.9

물리화학적 성질

끓는 점: 123 °C · 123 °C
밀도: 1 · 1,193 g/cm3
굴절률: 1.3425 · 1.3425
인화점: 52 °C · 52°C
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 14.76 · 14.76±0.10(Predicted)
색상: 무색 내지 거의 무색
BRN: 1736068 · 1736068
InChI: InChI=1S/C4H7F3O/c5-4(6,7)2-1-3-8/h8H,1-3H2
InChIKey: VKRFUGHXKNNIJO-UHFFFAOYSA-N
SMILES: C(O)CCC(F)(F)F
EPA: 4 · 4,4,4-Trifluorobutan-1-ol (461-18-7)

화학적 성질

Colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: 1993
HS 번호: 29055900
risk_code: 10-22-36
hazard_code: F,Xn
safety_code: 23-24/25-26
포장분류: III
위험 등급: 3
위험 참고 사항: Flammable
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

Use ClassificationPFAS -> F-telomer alcohols (FTOH)

응용 분야 · 1건

용도4,4,4-Trifluoro-1-butanol is a fluorinated alcohol compound used as a synthetic reagent or organic solvent. It can react with aldehydes and ketones to form alcohols and with carboxylic acids to form esters. It can also react with halogens to form halogenated hydrocarbons and with nitrogen-containing compounds to form amines and other compounds. Its solvent properties contribute to the efficient dissolution and preparation of other compounds.