4,4,4-Trifluoro-2-buten-1-ol (HCID 2777076)

Names & identifiers

Preferred name: 4,4,4-Trifluoro-2-buten-1-ol
IUPAC: 4,4,4-trifluorobut-2-en-1-ol
English name: 4,4,4-TRIFLUOROBUT-2-EN-1-OL
Molecular formula: C4H5F3O
Molecular weight: 126.08

Names & synonyms

4,4,4-trifluoro-2-buten-1-ol2-Buten-1-ol, 4,4,4-trifluoro-RefChem:284699614-064-8674-53-32-Buten-1-ol, 4,4,4-trifluoro-, (E)-83706-94-9C4H5F3O(2Z)-4,4,4-TRIFLUOROBUT-2-EN-1-OL2-Buten-1-ol,4,4,4-trifluoro-, (2Z)-SCHEMBL2317874SCHEMBL2494482

Show more names

4,4,4-TRIFLUOROBUT-2-EN-1-OL2-Buten-1-ol,4,4,4-trifluoro-4,4,4-Trifluorocrotyl alcohol4,4,4-Trifluorobut-2-en-1-ol97%(E)-4,4,4-trifluoro-2-buten-1-ol(E)-4,4,4-trifluorobut-2-en-1-ol4,4,4-Trifluorobut-2-en-1-ol 97%4,4,4-Trifluorocrotyl alcohol 97%4,4,4-TRIFLUOROBUT-2-EN-1-OL, MIXTURE OF E/Z ISOMERS

WLXXEZSEVYYTLH-UHFFFAOYSA-NDTXSID5013094684,4,4-Trifluorobut-2-en-1-ol(trans)DB-055032NS001341422-fluoro-3-(trifluoromethyl)-phenylacetonitrile

Database identifiers

CAS: 674-53-3
PubChem CID: 2777076
DTXSID: DTXSID501309468
EC Number: 614-064-8

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 83.8

Experimental & physicochemical properties

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

Physicochemical properties

Boiling point: 118 · 118-119°C
Density: 1.235 · 1.235±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 13.15 · 13.15±0.10(Predicted)
Appearance: Colorless to off-white Liquid
CAS DataBase Reference: 674 · 674-53-3(CAS DataBase Reference)
Symbol(GHS): 2 · GHS02,GHS07,GHS05
Signal word: Danger
Hazard statements: 226 · H226-H302-H315-H318
Precautionary statements: 210 · P210-P280
Hazard Codes: Xi,F
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 1987 · UN1987
Hazard Note: Irritant
HazardClass: IRRITANT, FLAMMABLE
HS Code: 2905599890 · 2905599890
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H226 (25%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H226 (25%): Flammable liquid and vapor [Warning Flammable liquids]

Hazard information

Regulatory InformationStatus: Active Update: 18-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29443

Hazard Classes and Categories · 2 items

Flam. Liq. 3 (25%)

Safety data

ridadr: UN1987
hs_code: 2905599890
risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07,GHS05
hazard_code: Xi,F
hazard_note: Irritant
safety_code: 26-36/37/39
hazard_class: IRRITANT, FLAMMABLE
Hazard statements: H226-H302-H315-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P210-P280