Benzenemethanamine, 3,4-dimethyl- (HCID 66888)

Names & identifiers

Preferred name: Benzenemethanamine, 3,4-dimethyl-
IUPAC: (3,4-dimethylphenyl)methanamine
English name: 3,4-Dimethylbenzylamine
Molecular formula: C9H13N
Molecular weight: 135.21

Names & synonyms

3,4-Dimethylbenzylamine102-48-7Benzenemethanamine, 3,4-dimethyl-EINECS 203-034-6DTXSID4059253RefChem:563262DTXCID7032682203-034-6(3,4-Dimethylphenyl)methanamineBenzylamine, 3,4-dimethyl-MFCD000255771-(3,4-dimethylphenyl)methanamine

Show more names

RARECHEM AL BW 03533,4-Dimethylbenzylam3,4-Dimethylbenzylamin3,4-Dimethylbenzylamine >3,4-DIMETHYLBENZYLAMINE HCL3,4-dimethyl-benzenemethanamin3,4-dimethyl-Benzenemethanamine

3,4-Dimethylbenzenemethanamine3,4-dimethylbenzyl amine(3,4-dimethylphenyl)methylamine3,4-dimethyl-benzylamineSCHEMBL39710SCHEMBL6284788SCHEMBL28922773SCHEMBL29406921

Database identifiers

CAS: 102-48-7
PubChem CID: 66888
DTXSID: DTXSID4059253
EC Number: 203-034-6
Nikkaji: J182.157A

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 101

Physicochemical properties

Boiling point: 93 °C · 93 °C
Density: 0.95 · 0.95
refractive index: 1.535 to · 1.5350 to 1.5390
storage temp.: 2 · 2-8°C
form: clear liquid
pka: 9.28 · 9.28±0.10(Predicted)
color: Light orange to Yellow to Green
Specific Gravity: 0.95 · 0.95
InChI: 1S/C9H13N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6,10H2,1-2H3
InChIKey: PXNRCZQMDSDSHJ-UHFFFAOYSA-N
SMILES: Cc1ccc(CN)cc1C
CAS DataBase Reference: 102 · 102-48-7(CAS DataBase Reference)
NIST Chemistry Reference: 3 · Benzenemethanamine, 3,4-dimethyl-(102-48-7)
EPA Substance Registry System: 3 · Benzenemethanamine, 3,4-dimethyl- (102-48-7)
UNSPSC Code: 12352116 · 12352116
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36
Safety Statements: 26 · 26-36/37/39
RIDADR: 2735 · 2735
WGK Germany: 3 · WGK 3
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2921490090 · 2921490090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 · Eye Irrit. 2
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 (71.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1C (71.4%)

Safety data

wgk: WGK 3
tsca: TSCA listed
ridadr: 2735
hs_code: 2921490090
risk_code: 34-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C,Xi
safety_code: 26-36/37/39
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H319
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: Eye Irrit. 2
Precautionary statements: P264-P280-P305+P351+P338-P337+P313