2,2,3,3-Tetrafluoro-1-propanol (HCID 6441)

Names & identifiers

Preferred name: 2,2,3,3-Tetrafluoro-1-propanol
IUPAC: 2,2,3,3-tetrafluoropropan-1-ol
English name: Tetrafluoro-1-propanol
Molecular formula: C3H4F4O
Molecular weight: 132.06

Names & synonyms

2,2,3,3-Tetrafluoro-1-propanol76-37-92,2,3,3-Tetrafluoropropan-1-ol1-Propanol, 2,2,3,3-tetrafluoro-2,2,3,3-Tetrafluoropropyl alcohol1,1,3-Trihydroperfluoro-1-propanolNSC-113RNO513716PDTXSID8058796RefChem:80821DTXCID0047828200-955-5

Show more names

TFP1,1,3-TrihydroperfluoropropanolJACS-76-37-9PTFE propanoluoro-1-propanoL1H,1H,3H-TetrafLTetrafluoro-1-propanol

1H,1H,3H-Tetrafluoro-1-propanol2,2,3,3-TETRAFLUOROPROPANOLMFCD00004676Tetrafluoropropyl alcoholC3-FluoroalcoholNSC 113EINECS 200-955-5BRN 1738264

Database identifiers

CAS: 76-37-9
PubChem CID: 6441
DTXSID: DTXSID8058796
UNII: RNO513716P
EC Number: 200-955-5
Nikkaji: J53.886H

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 71

Experimental & physicochemical properties

Kovats Retention Index636；640；651

Physicochemical properties

Melting point: -15 °C · -15°C
Boiling point: 109 °C · 109 °C
Density: 1.48 g/mL · 1.48 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.321(lit.)
Flash point: 110 °F · 110 °F
storage temp.: 2 · Sealed in dry,2-8°C
form: Liquid
pka: 13.05 · 13.05±0.10(Predicted)
color: Clear colorless
Specific Gravity: 1.481 · 1.481.471
Water Solubility: Soluble in water.
Merck: 14 · 14,9206
BRN: 1738264 · 1738264
Henry's Law Constant: 1.4 · 1.4×100 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
Stability: Stable. Flammable. Incompatible with strong oxidizing agents, strong bases, sodium, potassium, acid chlorides, acid anhydrides.
InChI: 1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2
InChIKey: NBUKAOOFKZFCGD-UHFFFAOYSA-N
SMILES: OCC(F)(F)C(F)F
CAS DataBase Reference: 76 · 76-37-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 513716 P · RNO513716P
NIST Chemistry Reference: 2 · 2,2,3,3-Tetrafluoro-1-propanol(76-37-9)
EPA Substance Registry System: 1 · 1-Propanol, 2,2,3,3-tetrafluoro- (76-37-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS06
Signal word: Danger
Hazard statements: 226 · H226-H319-H331
Precautionary statements: 210 · P210-P304+P340+P311-P305+P351+P338
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,F,Xi
Risk Statements: 10 · 10-20-36-36/37/38
Safety Statements: 26 · 26-37/39-16-36/37-36
RIDADR: 1986 · UN 1986 3/PG 3
WGK Germany: 1 · 1
RTECS: 9400000 · UB9400000
Hazard Note: Flammable
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29051990 · 29051990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 InhalationEye · Acute Tox. 3 InhalationEye Irrit. 2Flam. Liq. 3
REACH Registrations: Active
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 · 5 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (53.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (85.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (81.9%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (17.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]

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

Aggregated GHS information provided per 193 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Chemical: 1-Propanol, 2,2,3,3-tetrafluoro-

Status: Active Update: 29-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23610

2,2,3,3-tetrafluoropropan-1-ol: 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 (100%)；Acute Tox. 4 (53.9%)；Eye Irrit. 2A (85.5%)；Acute Tox. 3 (81.9%)；Acute Tox. 4 (17.1%)

Regulatory information

Regulatory Information · 3 items

Chemical: 1-Propanol, 2,2,3,3-tetrafluoro-

Status: Active Update: 29-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23610

2,2,3,3-tetrafluoropropan-1-ol: 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.

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 1
tsca: TSCA listed
rtecs: UB9400000
ridadr: UN 1986 3/PG 3
hs_code: 29051990
risk_code: 10-20-36-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS06
hazard_code: Xn,F,Xi
hazard_note: Flammable
safety_code: 26-37/39-16-36/37-36
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226-H319-H331
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Acute Tox. 3 InhalationEye Irrit. 2Flam. Liq. 3
Precautionary statements: P210-P304+P340+P311-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Propanol, 2,2,3,3-tetrafluoro-: ACTIVE

Applications · 2 items

Uses2,2,3,3-Tetrafluoro-1-propanol, is used as an essential fluorinated fine chemical, the main application of TFP is as a dye solvent in CD-R(W) and DVD-R(W) industry. It is also used in making textile treatment agent and pharmaceuticals. This chemical is an ideal replacement for Freon 22 detergent.

General Description2,2,3,3-Tetrafluoro-1-propanol (TFP) is extensively used as the solvent. Mineralization and defluoridation of TFP by UV oxidation in a novel three-phase fluidized bed reactor was reported. Desorption of activated carbon loaded with TFP by supercritical carbon dioxide in a rotating packed bed was investigated.

Upstream & downstream products

Upstream raw materials

Propanal, 2,2,3,3-tetrafluoro-Phosphonic acid, bis(2,2,3,3-tetrafluoropropyl) ester 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol 5H-Octafluoropentanal Methyl 2,2,3,3-tetrafluoropropionate Allyl 2,2,3,3-tetrafluoropropyl ether Trifluoroacetaldehyde

Downstream products

Tris(2,2,3,3-tetrafluoropropyl)phosphate 2,2,3,3-Tetrafluoropropyl acrylate 1H,1H,2'H,3H-Decafluorodipropyl ether 1,2-Benzenedicarbonitrile, 4-(2,2,3,3-tetrafluoropropoxy)1,1,2,2-tetrafluoro-3-(vinyloxy)propane 1,1,2,2-Tetrafluoroethyl-2,2,3,3-tetrafluoropropylether

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Related reactions

74 records

New reaction record

HRID 16476As reactantuspto-grants-2010_06

HRID 23321As reactantuspto-grants-2005_02

HRID 40432As reactantuspto-grants-2013_09

HRID 107197As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 178990As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 181517As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 202831As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 284283As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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Basic information