3-Methylbenzylamine (HCID 66015)

Names & identifiers

Preferred name: 3-Methylbenzylamine
IUPAC: (3-methylphenyl)methanamine
English name: 3-Methylbenzylamine
Molecular formula: C8H11N
Molecular weight: 121.18

Names & synonyms

3-Methylbenzylaminem-MethylbenzylamineBenzenemethanamine, 3-methyl-1-(3-methylphenyl)methanamineBenzylamine, m-methyl-EINECS 202-890-8DTXSID3059218RefChem:94839Benzenemethanamine, 3methylDTXCID4032459UN2735202-890-8

Show more names

3-Xylylamineα-Amino-m-xyleneRARECHEM AL BW 01643-Methyl-BenzylaminALPHA-AMINO-M-XYLENE(m-Tolylmethyl)amine

InChI=1/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1HRGXUCUWVGKLACF-UHFFFAOYSA-N100-81-2m-Tolylmethanamine(3-Methylphenyl)methanaminem-Xylylamine3-Methylbenzyl amine3-Methylbenzenemethanamine

Database identifiers

CAS: 100-81-2
PubChem CID: 66015
DTXSID: DTXSID3059218
ChEMBL: CHEMBL274573
UNII: JRQ2PCL7ZU
EC Number: 202-890-8
Nikkaji: J134.733K

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 80.6

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 19.71 °C · 19.71°C (estimate)
Boiling point: 202 · 202-205 °C(lit.)
Density: 0.966 g/mL · 0.966 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.536(lit.)
Flash point: 177 °F · 177 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 9.13 · 9.13±0.10(Predicted)
form: Liquid
color: Clear colorless to light yellow
Sensitive: Air Sensitive
BRN: 507474 · 507474
InChI: 1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3
InChIKey: RGXUCUWVGKLACF-UHFFFAOYSA-N
SMILES: Cc1cccc(CN)c1
CAS DataBase Reference: 100 · 100-81-2(CAS DataBase Reference)
NIST Chemistry Reference: 3 · Benzenemethanamine, 3-methyl-(100-81-2)
EPA Substance Registry System: 3 · Benzenemethanamine, 3-methyl- (100-81-2)
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
Safety Statements: 26 · 26-27-36/37/39-45
RIDADR: 2735 · UN 2735 8/PG 3
WGK Germany: 3 · 3
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29214200 · 29214200
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

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 49 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Benzylamine and alpha-Methylbenzylamine.

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

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 3
hs_code: 29214200
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-27-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanamine, 3-methyl-: ACTIVE

Applications · 1 item

Uses3-Methylbenzylamine ({(3-chlorophenyl)methanamine}) has been used as a templating agent in the synthesis of amine-templated materials containing two-dimensional lithium beryllofluoride sheets of the stoichiometry [LiBeF(4)](-). It has also been used to study the chromatographic behavior of a series of substituted aniline and pyridine basic compounds on C18 bonded silica.