3-Methyl-4-methoxybenzenamine

HCID 67297

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Basic information

CAS: 136-90-3
Standard SMILES: COc1ccc(N)cc1C
InChIKey: NFWPZNNZUCPLAX-UHFFFAOYSA-N
Molecular formula: C8H11NO
Average molar mass: 137.18 g/mol
Monoisotopic mass: 137.08406397

Names & identifiers

Preferred name: 3-Methyl-4-methoxybenzenamine
IUPAC: 4-methoxy-3-methylaniline
English name: 4-methoxy-3-methylaniline
Molecular formula: C8H11NO
Molecular weight: 137.18

Names & synonyms

4-Methoxy-3-methylaniline3-Methyl-4-methoxybenzenamineRefChem:503884687-346-1136-90-34-methoxy-3-methylphenylamine3-Methyl-4-methoxyaniline4-Amino-2-methylanisoleBenzenamine, 4-methoxy-3-methyl-4-Methoxy-3-methylbenzenamineMFCD07779234t-hexyl peroxy-2-ethyl hexanoate

Show more names

4-AMINO-24-AMINO-2-METHYLANISOLE-METHYLANISOLE4-AMino-2-Methylanisole[4-Methoxy-3-Methylaniline]

p-Anisidine, 3-methyl-4-methoxy-3-methyl-aniline4-Methoxy-3-methylaniline, 98%3-Methyl-p-anisidineSY04549010.14272/NFWPZNNZUCPLAX-UHFFFAOYSA-NCEFEPIMESULFATEBB 0257088

Database identifiers

CAS: 136-90-3
PubChem CID: 67297
DTXSID: DTXSID20159625
EC Number: 687-346-1
Nikkaji: J10.039K

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 105

Physicochemical properties

Melting point: 57 · 57-60℃
Boiling point: 252.03 °C · 252.03°C (rough estimate)
Density: 1.063 · 1.0630 (rough estimate)
refractive index: 1.536 · 1.5360 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 5.32 · 5.32±0.10(Predicted)
color: Dark Red to Black
InChI: 1S/C8H11NO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,9H2,1-2H3
InChIKey: NFWPZNNZUCPLAX-UHFFFAOYSA-N
SMILES: COc1ccc(N)cc1C
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
HS Code: 2922290090 · 2922290090
Storage Class: 13 · 13 - Non Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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, P317, 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 40 reports by companies from 3 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: 2922290090
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36/37/39
Storage Class: 13 - Non Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H312-H315-H319-H332-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P305+P351+P338