CAS 6850-57-3 2-Methoxybenzylamine (HCID 81292)

Names & identifiers

Preferred name: 2-Methoxybenzylamine
IUPAC: (2-methoxyphenyl)methanamine
English name: 2-Methoxybenzylamine
Molecular formula: C8H11NO
Molecular weight: 137.18

Names & synonyms

2-Methoxybenzylamine6850-57-3(2-Methoxyphenyl)methanamineo-MethoxybenzylamineBenzenemethanamine, 2-methoxy-2-(Aminomethyl)anisole2-methoxybenzenemethanamine2JK6T542T8EINECS 229-941-7(O-ANISYLMETHYL)AMINE2-METHOXYPHENYLMETHYLAMINEO-METHOXYBENZENEMETHANAMINE

Show more names

O-ANISYLAMINEAKOS BBS-00003620RARECHEM AL BW 01502-AMINOMETHYL-ANISOLEMethoxybenzylamine,96%2-METHOXYBENZOHYDRAZIDE

DTXSID60218629RefChem:87900DTXCID60141120229-941-7InChI=1/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1HPXJACNDVRNAFHD-UHFFFAOYSA-N1-(2-methoxyphenyl)methanamineMFCD00008110

Database identifiers

CAS: 6850-57-3
PubChem CID: 81292
DTXSID: DTXSID60218629
UNII: 2JK6T542T8
EC Number: 229-941-7
Nikkaji: J149.911D

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 95.3

Physicochemical properties

Melting point: 60 °C · 60 °C
Boiling point: 227 °C724 · 227 °C724 mm Hg(lit.)
Density: 1.051 g/mL · 1.051 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.548(lit.)
Flash point: 212 °F · 212 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
form: Liquid
pka: 9.15 · 9.15±0.10(Predicted)
Specific Gravity: 1.061 · 1.061.051
color: Clear colorless to slightly yellow
PH: 7 · >7 (H2O)
Water Solubility: slightly soluble
Sensitive: Air Sensitive
BRN: 1100448 · 1100448
InChI: 1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3
InChIKey: PXJACNDVRNAFHD-UHFFFAOYSA-N
SMILES: COc1ccccc1CN
CAS DataBase Reference: 6850 · 6850-57-3(CAS DataBase Reference)
FDA UNII: 2 JK6T542T8 · 2JK6T542T8
NIST Chemistry Reference: 2 · 2-Methoxybenzylamine(6850-57-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,Xi
Risk Statements: 34 · 34-37
Safety Statements: 26 · 26-36/37/39-45-27
RIDADR: 2735 · UN 2735 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29221980 · 29221980
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information2-Methoxybenzylamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1A (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2735 8/PG 2
hs_code: 29221980
risk_code: 34-37
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45-27
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Applications · 2 items

Uses2-Methoxybenzylamine is a 2-methoxy derivative of benzylamine. 2-Methoxybenzylamine is one the the metabolites detected in urine after metabolism of dopamine analogues. 2-Methoxybenzylamine is used in the preparation of GABAA receptor ligands as analgesic agents.

Uses2-Methoxybenzylamine was used in the preparation of 6-substituted purines.