Basic information
- Standard SMILES
CN(C)P(N(C)C)N(C)C- InChIKey
XVDBWWRIXBMVJV-UHFFFAOYSA-N- Molecular formula
- C6H18N3P
- Average molar mass
- 163.2 g/mol
- Monoisotopic mass
- 163.12383421
Names & identifiers
- Preferred name
- Hexamethylphosphorous triamide
- IUPAC
- N-[bis(dimethylamino)phosphanyl]-N-methylmethanamine
- English name
- Hexamethylphosphorous triamide
- Molecular formula
- C6H18N3P
- Molecular weight
- 163.2
Names & synonyms
Show more names
Database identifiers
- CAS
1608-26-0- PubChem CID
- 15355
- DTXSID
DTXSID6061816- UNII
- 6072HG2UW4
- EC Number
- 216-534-4
- Nikkaji
- J3.674I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 9.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 74
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- -44 °C · -44 °C
- Boiling point
- 48 · 48-50 °C/12 mmHg (lit.)
- Density
- 0.898 g/mL · 0.898 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.463(lit.)
- Flash point
- 73 °F · 73 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- Liquid
- pka
- 8.03 · 8.03±0.70(Predicted)
- color
- Clear colorless to slightly yellow
- Specific Gravity
- 0.898 · 0.8980
- Water Solubility
- REACTS
- Sensitive
- Moisture Sensitive
- BRN
- 906778 · 906778
- Stability
- Stable. Highly flammable - note low flash point. Incompatible with oxidizing agents.
- InChI
- 1S/C6H18N3P/c1-7(2)10(8(3)4)9(5)6/h1-6H3
- InChIKey
- XVDBWWRIXBMVJV-UHFFFAOYSA-N
- SMILES
- CN(C)P(N(C)C)N(C)C
- CAS DataBase Reference
- 1608 · 1608-26-0(CAS DataBase Reference)
- FDA UNII
- 6072 HG2UW4 · 6072HG2UW4
- NIST Chemistry Reference
- Phosphorous triamide, hexamethyl-(1608-26-0)
- EPA Substance Registry System
- Phosphorous triamide, hexamethyl- (1608-26-0)
- UNSPSC Code
- 12161700 · 12161700
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 226 · H226-H315-H319-H340-H350
- Precautionary statements
- 202 · P202-P210-P233-P303+P361+P353-P305+P351+P338-P308+P313
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- T,Xi,Xn,F
- Risk Statements
- 45 · 45-46-10-40-36/37/38
- Safety Statements
- 53 · 53-45-36/37/39-26-16-37/39-36
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 3390000 · TH3390000
- F
- 10 · 10
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29299000 · 29299000
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 1 BEye · Carc. 1BEye Irrit. 2Flam. Liq. 3Muta. 1BSkin Irrit. 2
- 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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P318, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- F
- 10
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TH3390000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29299000
- risk_code
- 45-46-10-40-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- T,Xi,Xn,F
- hazard_note
- Irritant
- safety_code
- 53-45-36/37/39-26-16-37/39-36
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H315-H319-H340-H350
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Carc. 1BEye Irrit. 2Flam. Liq. 3Muta. 1BSkin Irrit. 2
- Precautionary statements
- P202-P210-P233-P303+P361+P353-P305+P351+P338-P308+P313
Chemistry & industry
Uses & manufacturing
Applications
UsesHexamethylphosphorous triamide can be combination with CCl4 for the conversion of hydroxyl groups to the corresponding chlorides; hydroxyl group activation; dehydrations.
UsesHexamethylphosphorous triamide can be uesd in suzuki reaction.
UsesHexamethylphosphorous triamide can be widely used in industry, with applications such as being a flame retardant for building materials to a phosphorylating agent in synthetic chemistry. It is a classified carcinogen.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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