CAS 75853-18-8 2,3-Difluorobenzyl Alcohol (HCID 447153)

Names & identifiers

Preferred name: 2,3-Difluorobenzyl Alcohol
IUPAC: (2,3-difluorophenyl)methanol
English name: 2,3-Difluorobenzyl alcohol
Molecular formula: C7H6F2O
Molecular weight: 144.12

Names & synonyms

2,3-Difluorobenzyl alcohol75853-18-8(2,3-Difluorophenyl)methanolBenzenemethanol, 2,3-difluoro-2,3-DifluorobenzenemethanolI14VR7T96OUNII-I14VR7T96OCHEBI:41883DTXSID70332244RefChem:8164623-Difluorobenzyl alcoholDTXCID20283338

Show more names

RARECHEM AL BD 02112,3-Difluorophenyl alcohol2,3-difluoro-Benzenemethanol2,3-Difluorobenzylalcohol98%2,3-Difluorobenzyl Alcohol >2,3-Difluorobenzyl alcohol,94%2,3-Difluorobenzyl alcohol 98%

625-951-4922-760-0JSFGDUIJQWWBGY-UHFFFAOYSA-NMFCD000103122,3-difluorobenzylalcohol(2,3-difluorophenyl)methan-1-olSBB0636622,3-Difluorophenylalcohol

Database identifiers

CAS: 75853-18-8
PubChem CID: 447153
DTXSID: DTXSID70332244
ChEMBL: CHEMBL1232182
ChEBI: CHEBI:41883
UNII: I14VR7T96O
EC Number: 625-951-4、922-760-0

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Physicochemical properties

Boiling point: 101.45 °C · 101.45°C (rough estimate)
Density: 1.282 g/mL · 1.282 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.492(lit.)
Flash point: 201 °F · 201 °F
storage temp.: Sealed in dry,Room Temperature
form: Liquid
pka: 13.61 · 13.61±0.10(Predicted)
Specific Gravity: 1.282 · 1.282
color: Clear colorless to pale brown
Water Solubility: Slightly soluble in water.
BRN: 7089243 · 7089243
InChI: 1S/C7H6F2O/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2
InChIKey: JSFGDUIJQWWBGY-UHFFFAOYSA-N
SMILES: OCc1cccc(F)c1F
CAS DataBase Reference: 75853 · 75853-18-8(CAS DataBase Reference)
FDA UNII: 14 VR7T96O · I14VR7T96O
NIST Chemistry Reference: 2 · 2,3-Difluorobenzyl alcohol(75853-18-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 318 · H318
Precautionary statements: 280 · P280-P305+P351+P338
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 41 · 41-36/37/38
Safety Statements: 26 · 26-39-37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29062990 · 29062990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 1 · Eye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.

Danger

H315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (86.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 45 reports by companies.；There are 4 notifications provided by 44 of 45 reports by companies with hazard statement code(s).；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

Hazard Classes and CategoriesSkin Irrit. 2 (11.1%)；Eye Dam. 1 (86.7%)；Eye Irrit. 2 (11.1%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29062990
risk_code: 41-36/37/38
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi
safety_code: 26-39-37/39
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
Hazard statements: H318
Hazard Classifications: Eye Dam. 1
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

UsesIt is used to produce 1-bromomethyl-2,3-difluoro-benzene with reagent PBr3 and solvent toluene at the temperature of 100°C for 1 hour. 2,3-Difluorobenzyl alcohol may be used in chemical synthesis studies.

Upstream & downstream products

Upstream raw materials

2,3-Difluorobenzaldehyde

Suppliers100 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]

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

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

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

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

Additional notes

DefinitionChEBI: 2,3-difluorobenzyl alcohol is a member of the class of benzyl alcohols that is benzyl alcohol substituted by fluoro groups at positions 2 and 3 respectively. It is an organofluorine compound and a member of benzyl alcohols.