Methyl 4-amino-3-chloro-5-methylbenzoate
Basic information
- CAS
202146-16-5- Standard SMILES
COC(=O)c1cc(C)c(N)c(Cl)c1- InChIKey
SDBXHTMFAXKDML-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO2
- Average molar mass
- 199.63 g/mol
- Monoisotopic mass
- 199.0400063
Names & identifiers
- Preferred name
- Methyl 4-amino-3-chloro-5-methylbenzoate
- IUPAC
- methyl 4-amino-3-chloro-5-methylbenzoate
- English name
- Methyl 4-amino-3-chloro-5-methylbenzoate
- Molecular formula
- C9H10ClNO2
- Molecular weight
- 199.63
Names & synonyms
methyl 4-amino-3-chloro-5-methylbenzoate202146-16-5DTXSID90371610RefChem:355555DTXCID10322644899-864-7MFCD01313708Benzoic acid, 4-amino-3-chloro-5-methyl-, methyl esterMethyl 4-amino-3-chloro-5-methyl-benzoateSCHEMBL8060962SDBXHTMFAXKDML-UHFFFAOYSA-NCIA14616
Show more names
4-amino-3-chloro-5-methyl benzoate4-Amino-3-chloro-5-methylbenzoic acid methyl ester
AKOS027252568AS-8597methyl4-amino-3-chloro-5-methylbenzoateSY198076CS-0061260EN300-205310F467152Z1255465551
Database identifiers
- CAS
202146-16-5- PubChem CID
- 2736794
- DTXSID
DTXSID90371610- EC Number
- 899-864-7
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 80 · 80-82
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- Off-white to light brown Solid
- Comptox DTXSID
- 90371610 · DTXSID90371610
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2921490090 · 2921490090
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
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
2 records
Compound notes
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