urea phosphate
- Iupac Name：phosphoric acid;urea
- CAS No.: 4401-74-5
- Molecular Weight：158.05
- Modify Date.: 2023-01-05 13:52
1. Names and Identifiers
- 1.1 Name
- urea phosphate
- 1.2 Synonyms
C 904 C 904 (Flame retardant) Carbamido-orthophosphat Carbamido-orthophosphat [german] Einecs 224-534-0
- 1.3 CAS No.
- 4401-74-5
- 1.4 CID
- 20994
- 1.5 EINECS(EC#)
- 224-534-0
- 1.6 Molecular Formula
- CH7N2O5P (isomer)
- 1.7 Inchi
- InChI=1S/CH4N2O.H3O4P/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H3,1,2,3,4)
- 1.8 InChkey
- DZHMRSPXDUUJER-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- NC(N)=O.OP(O)(O)=O
- 1.10 Isomers Smiles
- C(=O)(N)N.OP(=O)(O)O
2. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Skin corrosion, Category 1B
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Danger |
| Hazard statement(s) | H314 Causes severe skin burns and eye damage |
| Precautionary statement(s) | |
| Prevention | P260 Do not breathe dust/fume/gas/mist/vapours/spray. P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
| Storage | P405 Store locked up. |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
3. Computational chemical data
- Molecular Weight: 158.05g/mol
- Molecular Formula: CH7N2O5P
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 158.00925833
- Monoisotopic Mass: 158.00925833
- Complexity: 78.8
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 147
- Heavy Atom Count: 9
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 2
- CACTVS Substructure Key Fingerprint: AAADcYADOAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABgAQCCAAAAAAAAABAABAABAIQAAAEIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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