Basic information
- CAS
57-39-6- Standard SMILES
CC1CN1P(=O)(N1CC1C)N1CC1C- InChIKey
AVUYXHYHTTVPRX-UHFFFAOYSA-N- Molecular formula
- C9H18N3OP
- Average molar mass
- 215.23 g/mol
- Monoisotopic mass
- 215.1187492
Overview
Tris(2-methyl-1-aziridinyl)phosphine oxide is a phosphoramide.
Names & identifiers
- Preferred name
- Metepa
- IUPAC
- 1-bis(2-methylaziridin-1-yl)phosphoryl-2-methylaziridine
- English name
- Tris(2-methyl-1-aziridinyl)phosphine oxide
- Molecular formula
- C9H18N3OP
- Molecular weight
- 215.23
Names & synonyms
METEPA57-39-6Methyl aphoxideMAPOTris(2-methyl-1-aziridinyl)phosphine oxideTris(1-methylethylene)phosphoric triamideDTXSID5020815Aziridine, 1,1',1''-phosphinylidynetris(2-methyl-NSC-540549PB481H025DTXCID50815Aziridine, 1,1',1''-phosphinylidynetris[2-methyl-
Show more names
c3172MAPO(R)ent50,003MAPO HIIAMethapoxide
RefChem:811251200-326-5MethaphoxideMetapoxideMetapaTris(methylaziridinyl)phosphine oxideTris(2-methylaziridin-1-yl)phosphine oxideEMT 50,003
Database identifiers
- CAS
57-39-6- PubChem CID
- 60976
- DTXSID
DTXSID5020815- ChEMBL
CHEMBL3560981- ChEBI
CHEBI:82556- UNII
- 9PB481H025
- EC Number
- 200-326-5
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 26.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 274
Experimental & physicochemical properties
Collision Cross Section142.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5020815]
Physicochemical properties
- Melting point
- 25 °C · 25°C
- Boiling point
- 90 · 90-92 °C (0.15-0.3 mmHg)
- Density
- 1.079 · 1.0790
- form
- liquid
- pka
- 3.8 · 3.80±0.40(Predicted)
- Odor
- amine odor
- InChI
- InChI=1S/C9H18N3P/c1-7-4-10(7)13(11-5-8(11)2)12-6-9(12)3/h7-9H,4-6H2,1-3H3
- InChIKey
- DKKKIFBZPVPZMU-UHFFFAOYSA-N
- SMILES
- P(N1CC1C)(N1CC1C)N1CC1C
- FDA UNII
- 9 PB481H025 · 9PB481H025
- NIST Chemistry Reference
- Tris(1-(2-methyl)aziridinyl)phosphine oxide(57-39-6)
- IARC
- 3 · 3 (Vol. 9, Sup 7) 1987
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Aziridine, 1,1',1''-phosphinylidynetris[2-methyl-
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Toxicology
Carcinogen Classification
Tris(2-methyl-1-aziridinyl)phosphine oxide
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 9: (1975) Some Aziridines, N-, S- and O-Mustards and Selenium
1987
1987
Safety data
- tsca
- TSCA listed
- ridadr
- 2810
- Toxicity
- LD50 in male, female rats (mg/kg): 136, 213 orally (Gaines)
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAziridine, 1,1',1''-phosphinylidynetris[2-methyl-: ACTIVE
Applications
UsesMetepa is a chemosterilant.
UsesChemosterilant; in creaseproofing and flameproofing textiles.
Upstream & downstream products
Upstream raw materials
Suppliers51 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
SelectLab Chemicals GmbH+49-(0)2383-919350 · [email protected]
上海君悦生物科技有限公司021-51370612 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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