4-Chloro-5-methoxypyridin-3-amine
Basic information
- CAS
1105675-66-8- Standard SMILES
COc1cncc(N)c1Cl- InChIKey
XVGSBGURKNXSFW-UHFFFAOYSA-N- Molecular formula
- C6H7ClN2O
- Average molar mass
- 158.58 g/mol
- Monoisotopic mass
- 158.0246905
Names & identifiers
- Preferred name
- 4-Chloro-5-methoxypyridin-3-amine
- IUPAC
- 4-chloro-5-methoxypyridin-3-amine
- English name
- 4-CHLORO-5-METHOXYPYRIDIN-3-AMINE
- Molecular formula
- C6H7ClN2O
- Molecular weight
- 158.59
Names & synonyms
4-Chloro-5-methoxypyridin-3-amine1105675-66-8DTXSID80673832RefChem:521476DTXCID80624581872-927-64-Chloro-5-methoxy-pyridin-3-ylamineMFCD118576223-AMINO-4-CHLORO-5-METHOXYPYRIDINESCHEMBL282925634-chloro-5-methoxy-pyridin-3-amineAKOS006344040
Show more names
3-Pyridinamine, 4-chloro-5-methoxy-
AB64859DB-060013CS-03408264-Chloro-5-methoxypyridin-3-amine, AldrichCPR
Database identifiers
- CAS
1105675-66-8- PubChem CID
- 46736745
- DTXSID
DTXSID80673832- EC Number
- 872-927-6
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 294.9 · 294.9±35.0 °C(Predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- pka
- 5.07 · 5.07±0.10(Predicted)
- form
- solid
- InChI
- 1S/C6H7ClN2O/c1-10-5-3-9-2-4(8)6(5)7/h2-3H,8H2,1H3
- InChIKey
- XVGSBGURKNXSFW-UHFFFAOYSA-N
- SMILES
- COc1cncc(N)c1Cl
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933399990
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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