Basic information
- CAS
18108-22-0- Standard SMILES
NC(c1ccccc1)P(=O)(O)O- InChIKey
ZKFNOUUKULVDOB-UHFFFAOYSA-N- Molecular formula
- C7H10NO3P
- Average molar mass
- 187.13 g/mol
- Monoisotopic mass
- 187.03983018
Overview
1-amino-1-phenylmethyl phosphonic acid is a member of the class of phosphonic acids that is phosphonic acid having a amino(phenyl)methyl group attached to the phosphorus. It is a member of benzenes, a member of phosphonic acids and a primary amino compound. It is functionally related to a phosphonic acid.
Names & identifiers
- Preferred name
- (alpha-Aminobenzyl)phosphonic acid
- IUPAC
- [amino(phenyl)methyl]phosphonic acid
- English name
- (1-Amino-1-cyclohexyl)phosphonic acid
- Molecular formula
- C7H10NO3P
- Molecular weight
- 187.13
Names & synonyms
[amino(phenyl)methyl]phosphonic acid(alpha-Aminobenzyl)phosphonic acid(Aminophenylmethyl)phosphonic acid(amino(phenyl)methyl)phosphonic acidDTXSID501305747RefChem:405675DTXCID201735723109-757-218108-22-0Phosphonic acid, (aminophenylmethyl)-BRN 2049498amino(phenyl)methylphosphonic acid
Show more names
C6H5CH(NH2)P(O)(OH)2α-Aminobenzylphosphonic acid(a-Aminobenzyl)phosphonic acid.ALPHA-AMINOBENZYLPHOSPHONIC ACID(aminophenylmethyl)phosphonicacid(aminophenylmethyl)-phosphonicaci(alpha-aminobenzyl)-phosphonicaci(1-Amino-1-cyclohexyl)phosphonic acid(1-AMINO-1-PHENYLMETHYL)PHOSPHONIC ACID
1-amino-1-phenylmethyl phosphonic acidCHEMBL1090366Phosphonic acid, (alpha-aminobenzyl)- (6CI,8CI)NSC669595NSC-133874Phosphonic acid, (alpha-aminobenzyl)-Phosphonic acid, P-(aminophenylmethyl)-NSC 133874
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 254 · 254-257 °C
- Boiling point
- 407.9 · 407.9±55.0 °C(Predicted)
- Density
- 1.446 · 1.446±0.06 g/cm3(Predicted)
- form
- Powder or Cyrstals
- pka
- 1.43 · 1.43±0.10(Predicted)
- color
- White
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
- HS Code
- 29310099 · 29310099
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
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (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
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- hs_code
- 29310099
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26
Chemistry & industry
Suppliers3 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: A member of the class of phosphonic acids that is phosphonic acid having a amino(phenyl)methyl group attached to the phosphorus.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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