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Boron trifluoride dihydrate

HCID 61591
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Basic information

CAS
13319-75-0
Standard SMILES
FB(F)F.O.O
InChIKey
MJCYPBSRKLJZTB-UHFFFAOYSA-N
Molecular formula
BF3.2H2O
Average molar mass
103.84 g/mol
Monoisotopic mass
104.02564443

Overview

Boron trifluoride dihydrate is a fuming liquid. It may be corrosive to skin, eyes and mucous membranes. This material may be toxic by inhalation. It is used as a catalyst in chemical reactions.

Names & identifiers

Preferred name
Boron trifluoride dihydrate
IUPAC
trifluoroborane;dihydrate

Names & synonyms

Boron trifluoride dihydrate13319-75-0Borane, trifluoro-, dihydrateDTXSID9033264UN2851DTXCID7013264RefChem:121037Borane, trifluoro, dihydrateBORON TRIFLUORIDE, DIHYDRATEBORON FLUORIDE (BF3) DIHYDRATE603-716-7Boron fluoride dihydrate
Show more names
16903-52-9trifluoroborane;dihydratetrifluoroborane dihydrateBF3.2H2OBF3 dihydrateBortrifluorid Dihydratborontrifluoride dihydrateSCHEMBL733961

Database identifiers

CAS
13319-75-0、16903-52-9
PubChem CID
61591
DTXSID
DTXSID9033264
ChEMBL
CHEMBL2140344
EC Number
240-950-5、603-716-7

Properties

Computed structural properties

Topological polar surface area
2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
6
Formal charge
0
Complexity
8

Experimental & physicochemical properties

Chemical Classes · 2 items

Metals -> Metalloid Compounds (Boron)

Corrosives

Density1.6316 @25 °C
Physical Description · 2 items

Boron trifluoride dihydrate is a fuming liquid. It may be corrosive to skin, eyes and mucous membranes. This material may be toxic by inhalation. It is used as a catalyst in chemical reactions.

Fuming liquid; [CAMEO] Red-brown liquid with an acrid odor; [Alfa Aesar MSDS]

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H302+H332 (21%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 181 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: Borane, trifluoro-, dihydrate

Chemical: Borate(1-), trifluorohydroxy-, hydrogen, (T-4)-

Boron trifluoride dihydrate: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
DOT LabelCorrosive
Fire Hazards · 2 items

Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:

· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.

Health Hazards · 2 items

Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:

· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.

Chemistry & industry

Uses & manufacturing

UsesUsed as a catalyst; [CAMEO]

Related reactions

5 records
New reaction record
HRID 1024593 reaction equation
HRID 1024593As reactantuspto-grants-2014_05
HRID 1413419 reaction equation
HRID 1413419As reactantuspto-grants-1981_02
HRID 1764602 reaction equation
HRID 1764602As reactantuspto-grants-1978_09
HRID 1764603 reaction equation
HRID 1764603As reactantuspto-grants-1978_09
HRID 1848343 reaction equation
HRID 1848343As reactantuspto-grants-2015_02

Compound notes

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Hazards Summary · 1 item

Causes ptosis, respiratory depression, and changes in the structure or function of salivary glands in inhalation lethal-concentration studies of rats; [RTECS] Reacts with water and air; Causes burns; [CAMEO] Reacts with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Toxic by inhalation; [Alfa Aesar MSDS] See Boron trifluoride.

DOT ID and Guide2851 157
Reactive GroupFluoride Salts, Soluble
Reactivity AlertsKnown Catalytic Activity
Reactivity Profile · 1 item

BORON TRIFLUORIDE, DIHYDRATE is a colorless, strongly irritating, liquid. Upon contact with water, steam or when heated to decomposition, it will produce toxic fluoride fumes. Incompatible with alkyl nitrates, calcium oxide. Reaction with alkali metals or alkaline earth metals (except magnesium) will cause incandescence [Bretherick, 5th ed., 1995, p. 65].

DOT Hazard Classification · 4 items

Boron trifluoride dihydrate

UN2851

Class 8 Corrosive material (49 eCFR § 173.136)

PG II: the degree of danger presented by the material is medium

Air and Water ReactionsIn moist air forms dense white fumes pungent, corrosive to skin, avoid inhalation [Merck 11th ed. 1989].

Safety & protection

Fire FightingExcerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:
Accidental Release Measures · 2 items

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 items

Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:
Isolation and Evacuation · 2 items

Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:

Immediate precautionary measure

Protective Action Criteria (PAC) · 3 items

2.5 [mg/m3]

29 [mg/m3]

88 [mg/m3]

Personal Protective Equipment (PPE)Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:
Emergency Response Planning Guidelines· Note: Some foams will react with the material and release corrosive/toxic gases.

Toxicology

Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLC50 (rat) = 1,210 mg/m3/4hr