CAS 2240-88-2 3,3,3-Trifluoro-1-propanol (HCID 137512)

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Basic information

CAS: 2240-88-2
Standard SMILES: OCCC(F)(F)F
InChIKey: HDBGBTNNPRCVND-UHFFFAOYSA-N
Molecular formula: C3H5F3O
Average molar mass: 114.07 g/mol

Names & identifiers

Preferred name: 3,3,3-Trifluoro-1-propanol
IUPAC: 3,3,3-trifluoropropan-1-ol
English name: 3,3,3-Trifluoro-1-propanol
Molecular formula: C3H5F3O
Molecular weight: 114.07

Names & synonyms

3,3,3-Trifluoro-1-propanol3,3,3-Trifluoropropan-1-olDTXSID30870950RefChem:90728DTXCID00818627670-540-5HDBGBTNNPRCVND-UHFFFAOYSA-N2240-88-23,3,3-trifluoropropanol65530-60-1MFCD00190649SCHEMBL10127

Show more names

uoropropan-1-oL3,3,3-TRIFLUOROPROPANOL-13,3,3-Trifluoropropanol-1-ol3,3,3-TRIFLUORO-1-PROPANOL(I)3,3,3-Trifluoropropan-1-ol97%3,3, 3-trifluoro-propano-1-ol

3,3,3-Trifluoro-propan-1-olCS-W011251AB04522EN300-702581-Propanol, 3,3,3-trifluoro-trifluoropropanolAMY6830FT-OH

Database identifiers

CAS: 2240-88-2、65530-60-1
PubChem CID: 137512
DTXSID: DTXSID30870950
ChEMBL: CHEMBL4515005
EC Number: 613-814-1、670-540-5
Nikkaji: J1.053.223J

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 48.6

Experimental & physicochemical properties

PFAS · 4 items

PFAS -> F-telomer alcohols (FTOH)

PFAS -> Non polymer polymers

PFAS -> Intentionally added food contact chemicals

PFAS -> Other/unspecified

SpringerMaterials PropertiesSchoenflies notation

LogP0.39

Physicochemical properties

Boiling point: 100 °C · 100 °C
Density: 1 · 1,294 g/cm3
refractive index: 1.32 · 1.32
Flash point: 37 °C · 37°C
storage temp.: 2 · 2-8°C
form: clear liquid
pka: 14.09 · 14.09±0.10(Predicted)
color: Colorless to Almost colorless
Specific Gravity: 1.294 · 1.294
Water Solubility: Fully miscible in water.

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (23.5%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPoly(difluoromethylene), .alpha.-fluoro-.omega.-(2-hydroxyethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesFlam. Liq. 3 (23.5%)

Safety data

wgk: WGK 3
ridadr: 1987
hs_code: 29055900
risk_code: 20/21/22-36/37/38-36-25-10
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: F,T
hazard_note: Flammable
safety_code: 26-36/37/39-45-37
hazard_class: 3
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III

Chemistry & industry

Uses & manufacturing

Uses• Surface active agent in oil and gas drilling, extraction, and support activities [Ref: https://www.epa.gov/chemical-data-reporting/2016-chemical-data-reporting-results]

Use ClassificationPFAS -> F-telomer alcohols (FTOH)