1,3,5-Trimethylborazine
Basic information
- CAS
1004-35-9- Standard SMILES
CN1BN(C)BN(C)B1- InChIKey
SIJDQNVSAGQBND-UHFFFAOYSA-N- Molecular formula
- C3H12B3N3
- Average molar mass
- 122.6 g/mol
- Monoisotopic mass
- 123.1310379
Names & identifiers
- Preferred name
- 1,3,5-Trimethylborazine
- IUPAC
- 1,3,5-trimethyl-1,3,5,2,4,6-triazatriborinane
- English name
- 1,3,5-Trimethylborazine
- Molecular formula
- C3H12B3N3
- Molecular weight
- 122.58
Names & synonyms
NSC-10221RefChem:412658DTXCID5032525690-848-31,3,5-Trimethylborazine1004-35-98TA5Q6XG3SBorazine, 1,3,5-trimethyl-DTXSID50732461,5-TrimethylborazineN,N''-TrimethylborazineBorazine,3,5-trimethyl-
Show more names
N,N',N"TrimethylborazineBorazine,1,3,5-trimethyl-N,N',N''-Trimethylborazine1,3,5-trimethyl-cyclotriborazane1004-35-9 1,3,5-TRIMETHYLBORAZINE1,3,5-TriMethyl-1,3,5,2,4,6-triazatriborinane1,3,5-Trimethyl-1,3,5-triaza-2,4,6-triboracyclohexane
C3H12B3N3MFCD07784480NSC 10221
Database identifiers
- CAS
1004-35-9- PubChem CID
- 223063
- DTXSID
DTXSID5073246- EC Number
- 690-848-3
Properties
Computed structural properties
- Topological polar surface area
- 9.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 69.3
Experimental & physicochemical properties
Chemical ClassesMetals -> Metalloid Compounds (Boron)
Physical DescriptionClear colorless liquid with a mild odor; Fumes in air; [Gelest MSDS]
Physicochemical properties
- Melting point
- 235 · 235-245℃
- Boiling point
- 133 ℃ · 133℃
- refractive index
- 1.4404 · 1.4404 (20℃)
- pka
- -3.89 · -3.89±0.20(Predicted)
- Specific Gravity
- 0.888 · 0.888
- Hydrolytic Sensitivity
- 8 · 8: reacts rapidly with moisture, water, protic solvents
- FDA UNII
- 8 TA5Q6XG3S · 8TA5Q6XG3S
- EPA Substance Registry System
- 1 · Borazine, 1,3,5-trimethyl- (1004-35-9)
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318-H260-H225
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
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P223, P231+P232, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P335+P334, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P402+P404, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazards SummaryReacts violently and may ignite on contact with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Gelest MSDS] See Borazine.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- Hazard statements
- H314-H318-H260-H225
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P223-P231+P232-P280-P335+P334-P370+P378-P402+P404-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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