3-Methoxybenzene-1,2-diamine

HCID 184268CAS 37466-89-0

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Basic information

Standard SMILES: COc1cccc(N)c1N
InChIKey: BFLWXPJTAKXXKT-UHFFFAOYSA-N
Molecular formula: C7H10N2O
Average molar mass: 138.17 g/mol
Monoisotopic mass: 138.07931295

Names & identifiers

Preferred name: 3-Methoxybenzene-1,2-diamine
IUPAC: 3-methoxybenzene-1,2-diamine
English name: 3-METHOXY-BENZENE-1,2-DIAMINE
Molecular formula: C7H10N2O
Molecular weight: 138.17

Names & synonyms

3-methoxybenzene-1,2-diamine37466-89-03-Methoxy-1,2-benzenediamineDTXSID20276664RefChem:503232DTXCID00199286815-861-52,3-diaminoanisole2,3-DIAMINOANISOL3-methoxy-benzene-1,2-diamine3-Methoxy-o-phenylenediamine3-Methoxy-1,2-phenylenediamine

Show more names

NSC 521887Esomeprazol Impurity 7Esomeprazole Impurity 293-Methoxy-2-amino-aniline1,2-Diamino-3-methoxybenzene3-Methoxy-1,2-diaminobenzene

1,2-Benzenediamine, 3-methoxy-diaminoanisoleMFCD082769033-Methoxyphenylene-1,2-diamineNSC521887Esomeprazole Impurity 1hydrosulphate2-amino-3-methoxyaniline

Database identifiers

CAS: 37466-89-0
PubChem CID: 184268
DTXSID: DTXSID20276664
EC Number: 815-861-5
Nikkaji: J1.115.481F

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 61.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 77 · 77-78℃
Boiling point: 114 · 114-116 °C(Press: 0.5 Torr)
Density: 1.17 · 1.170±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: solid
pka: 4.1 · 4.10±0.10(Predicted)
color: Black
Water Solubility: Slightly soluble in water.
Sensitive: Air Sensitive
CAS DataBase Reference: 37466 · 37466-89-0
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 302 · H302-H312-H315-H319-H331-H335
Precautionary statements: 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
HazardClass: 6.1 · 6.1
HS Code: 2922290090 · 2922290090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.