CAS 374-01-6 1,1,1-Trifluoro-2-propanol (HCID 9774)

Overview

structure in first source

Names & identifiers

Preferred name: 1,1,1-Trifluoro-2-propanol
IUPAC: 1,1,1-trifluoropropan-2-ol
English name: 1,1,1-Trifluoro-2-propanol
Molecular formula: C3H5F3O
Molecular weight: 114.07

Names & synonyms

374-01-61,1,1-TRIFLUORO-2-PROPANOL2-Propanol, 1,1,1-trifluoro-DTXSID20870520RefChem:478404DTXCID90818237206-773-21,1,1-Trifluoropropan-2-ol1,1,1-trifluoro-propan-2-ol1,1,1-TrifluoroisopropanolMFCD000144031-Methyl-2,2,2-trifluoroethanol

Show more names

Cediranib Impurity 21,1,1-TRIFLUOROPROPANOL-21,1,1-trifluoro-2-propano2-propanol,1,1,1-trifluoro-1,1,1-Trifluoropropan-2-ol97%1,1,1-Trifluoropropan-2-ol 97%

NSC 3637EINECS 206-773-217556-48-81,1,1,-trifluoro-2-propanolrac-1,1,1,-trifluoro-2-propanol(rac)-1,1,1-trifluoro-propan-2-ol1,1,1-Trifluoro-2-propanol, 97%SB36890

Database identifiers

CAS: 374-01-6
PubChem CID: 9774
DTXSID: DTXSID20870520
EC Number: 206-773-2
Nikkaji: J213.569H

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 57.7

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Alcohols

SpringerMaterials PropertiesBoiling point

LogP0.71

Vapor Pressure60.9 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: -52 °C · -52 °C
Boiling point: 81 · 81-82 °C(lit.)
Density: 1.259 g/mL · 1.259 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.316(lit.)
Flash point: 65 °F · 65 °F
storage temp.: 2 · Storage temp. 2-8°C
form: liquid
pka: 12.53 · 12.53±0.20(Predicted)
color: Clear
Water Solubility: Fully miscible in water.
BRN: 1734738 · 1734738
Henry's Law Constant: 1.3 · 1.3×10-1 mol/(m3Pa) at 25℃, I. et al. (1999)
InChI: InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3
InChIKey: GILIYJDBJZWGBG-UHFFFAOYSA-N
SMILES: C(F)(F)(F)C(O)C
CAS DataBase Reference: 374 · 374-01-6(CAS DataBase Reference)
EPA Substance Registry System: 2 · 2-Propanol, 1,1,1-trifluoro- (374-01-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H315-H319-H335
Precautionary statements: 210 · P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,Xi
Risk Statements: 11 · 11-36/37/38
Safety Statements: 16 · 16-26-33-36
RIDADR: 1993 · UN 1993 3/PG 1
WGK Germany: 3 · 3
Hazard Note: Flammable/Irritant
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29055900 · 29055900
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin 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 (89.8%): 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Trifluoroethanol and 1,3-Dichloro-2-propanol.

Hazard Classes and CategoriesFlam. Liq. 2 (89.8%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 1
hs_code: 29055900
risk_code: 11-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: F,Xi
hazard_note: Flammable/Irritant
safety_code: 16-26-33-36
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H225-H315-H319-H335
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: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P233-P240-P241-P303+P361+P353-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Propanol, 1,1,1-trifluoro-: ACTIVE

Applications

Uses1,1,1-Trifluoro-2-propanol is used as a chemical building block.

General Description1,1,1-Trifluoro-2-propanol, a fluoroalcohol, is an organic solvent. Vibrational spectral analysis of OH and OD groups of 1,1,1-trifluoro-2-propanol and its deuterated derivatives has been conducted.

Suppliers100 total

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

常州新氟化学有限公司13275212658 · [email protected]

Related reactions

79 records

New reaction record

HRID 88945As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 106413As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 107120As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 115036As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 147802As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 157201As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 173053As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 184814As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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Basic information