N-(2,4-Dichlorobenzoyl)glycine
Basic information
- CAS
7554-79-2- Standard SMILES
O=C(O)CNC(=O)c1ccc(Cl)cc1Cl- InChIKey
NSEWCAZRGRZTHU-UHFFFAOYSA-N- Molecular formula
- C9H7Cl2NO3
- Average molar mass
- 248.06 g/mol
- Monoisotopic mass
- 246.9802985
Names & identifiers
- Preferred name
- N-(2,4-Dichlorobenzoyl)glycine
- IUPAC
- 2-[(2,4-dichlorobenzoyl)amino]acetic acid
- English name
- (2,4-Dichloro-benzoylamino)-acetic acid
- Molecular formula
- C9H7Cl2NO3
- Molecular weight
- 248.06
Names & synonyms
7554-79-2N-(2,4-Dichlorobenzoyl)glycine2-[(2,4-dichlorophenyl)formamido]acetic acidDTXSID403526562-((2,4-dichlorophenyl)formamido)acetic acidRefChem:823904DTXCID60303721849-521-22-[(2,4-dichlorobenzoyl)amino]acetic acid2-(2,4-Dichlorobenzamido)acetic acidMFCD00619713[(2,4-dichlorobenzoyl)amino]acetic acid
Show more names
AURORA 15900OTAVA-BB BB70123506762,4-Dichlorhippursaeure(2,4-dichlorobenzoyl)glycine
(2,4-Dichloro-benzoylamino)-acetic acidF1085-0016N-[(2,4-dichlorophenyl)carbonyl]glycine2-[(2,4-dichlorophenyl)carbonylamino]acetic acidGlycine, N-(2,4-dichlorobenzoyl)-Oprea1_103970Oprea1_823579AO-854/40002776
Database identifiers
- CAS
7554-79-2- PubChem CID
- 731352
- DTXSID
DTXSID40352656- EC Number
- 849-521-2
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 156 · 156-160°C
- Boiling point
- 438.1 · 438.1±45.0 °C(Predicted)
- Density
- 1.505 · 1.505±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 3.37 · 3.37±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 280 · P280-P301+P312+P330-P305+P351+P338+P310
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22-41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 2922500090 · 2922500090
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2922500090
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Hazard statements
- H302-H318
- Precautionary statements
- P280-P301+P312+P330-P305+P351+P338+P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…