4,4,4-Trifluorobutanal

HCID 2777083CAS 406-87-1

기본 정보

표준 SMILES: O=CCCC(F)(F)F
InChIKey: SCJCDNUXDWFVFI-UHFFFAOYSA-N
분자식: C4H5F3O
평균 분자량: 126.08 g/mol
단동위원소 질량: 126.02924944

이름 및 식별자

우선 이름: 4,4,4-Trifluorobutanal
IUPAC: 4,4,4-trifluorobutanal
영어명: 4,4,4-Trifluorobutyraldehyde
분자식: C4H5F3O
분자량: 126.08

이름 및 동의어

4,4,4-trifluorobutanal406-87-1DTXSID10380365RefChem:284715DTXCID50331391691-630-04,4,4-trifluorobutyraldehydeMFCD001906434,4,4-Trifluorobutyraldehyde, tech.4,4,4-trifluoro-butyraldehydeButanal,4,4,4-trifluoro-Butanal, 4,4,4-trifluoro-

이름 더 보기

5,5,5-trifluoropentanal4,4,4-trifluorobutyralde3-(Trifluoromethyl)propanal3,3,3-Trifluoropropanaldehyde4,4,4-Trifluorobutyraldehyde 95%

4,4,4-Trifluorobutanal 95%4,4,4-trifluoro-1-butanalSCHEMBL285606SCHEMBL605855SCHEMBL288592754,4,4-Trifluorobutyraldehyde95%AAA40687SBB085628

데이터베이스 식별자

CAS: 406-87-1
PubChem CID: 2777083
DTXSID: DTXSID10380365
EC Number: 691-630-0
Nikkaji: J1.143.380D

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 75.8

물리화학적 성질

끓는 점: 94 · 94-97°C
밀도: 1 · 1,2 g/cm3
굴절률: 1.3387 · 1.3387 (589.3 nm 25℃)
인화점: -4 ° · -4°
InChI: InChI=1S/C4H5F3O/c5-4(6,7)2-1-3-8/h3H,1-2H2
InChIKey: SCJCDNUXDWFVFI-UHFFFAOYSA-N
SMILES: C(=O)CCC(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.