CAS 462-43-1 3-Fluoro-1-propanol (HCID 68042)

Names & identifiers

Preferred name: 3-Fluoro-1-propanol
IUPAC: 3-fluoropropan-1-ol
English name: 3-FLUOROPROPAN-1-OL
Molecular formula: C3H7FO
Molecular weight: 78.09

Names & synonyms

3-Fluoro-1-propanol1-Propanol, 3-fluoro-RefChem:501578671-654-83-fluoropropan-1-ol462-43-13-FluoropropanolPropanol, 3-fluoro-omega-Fluoropropanol3-fluoro-propan-1-ol3-Hydroxypropyl fluorideTL 1510

Show more names

tl15103-fluoro-propano3-hydroxypropylfluoride1-Fluoro-3-hydroxypropane1-Propanol, 3-fluoro- (6CI,8CI,9CI)

MFCD00039548BRN 17310764-01-00-01437 (Beilstein Handbook Reference)3-fluoro-propanol3-Fluoro-1-propanol; 3-Fluoropropanol; 3-Hydroxypropyl Fluoride3-fluorpropane-1-ol3-fluoropropane-1-olSCHEMBL25352

Database identifiers

CAS: 462-43-1
PubChem CID: 68042
DTXSID: DTXSID90196764
ChEMBL: CHEMBL4450750
EC Number: 671-654-8
Nikkaji: J50.984A

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 5
Formal charge: 0
Complexity: 16.4

Experimental & physicochemical properties

SpringerMaterials PropertiesCoriolis coupling

LogP-0.28

Physicochemical properties

Boiling point: 127.5 °C · 127.5 °C
Density: 1.039 · 1.039
refractive index: 1.3771 · 1.3771
Flash point: 20 ℃ · 20℃
storage temp.: Refrigerator
solubility: Acetone, Methanol
form: Oil
pka: 14.69 · 14.69±0.10(Predicted)
color: Colourless
Specific Gravity: 1.039 · 1.0390
InChI: InChI=1S/C3H7FO/c4-2-1-3-5/h5H,1-3H2
InChIKey: NLRJUIXKEMCEOH-UHFFFAOYSA-N
SMILES: C(O)CCF
CAS DataBase Reference: 462 · 462-43-1(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07,GHS02
Signal word: Warning
Hazard statements: 315 · H315-H319-H226
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
target organs: Respiratory system
Hazard Codes: F,T
Risk Statements: 10 · 10-52-41-37/38-25-36/37/38
Safety Statements: 16 · 16-36-45-39-26-36/37/39-22
RIDADR: 1987 · 1987
WGK Germany: 3 · WGK 3
HazardClass: FLAMMABLE
HS Code: 29051990 · 29051990
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralAquatic · Acute Tox. 3 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2STOT SE 3
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (60%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (60%)

Safety data

wgk: WGK 3
ridadr: 1987
hs_code: 29051990
risk_code: 10-52-41-37/38-25-36/37/38
Signal word: Warning
Symbol(GHS): GHS07,GHS02
hazard_code: F,T
safety_code: 16-36-45-39-26-36/37/39-22
hazard_class: FLAMMABLE
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
target organs: Respiratory system
Hazard statements: H315-H319-H226
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235

Chemistry & industry

Applications · 1 item

Uses3-Fluoropropan-1-ol is used as a reagent to synthesize fluorinated amino acids (e.g. DL-erythro-4-Fluoroglutamine [F591630]). 3-Fluoropropan-1-ol is also used as a reagent to synthesize labelled N-desmethyl-loperamide analogues, compounds that have potential use as imaging radiotracers.