CAS 18600-42-5 4-Nitrobenzylamine hydrochloride (HCID 11252467)

Overview

See also: 4-Nitrobenzylammonium hydrochloride (preferred).

Names & identifiers

Preferred name: 4-Nitrobenzylamine hydrochloride
IUPAC: (4-nitrophenyl)methanamine;hydrochloride
English name: 4-Nitrobenzylamine hydrochloride
Molecular formula: C7H9ClN2O2
Molecular weight: 188.61

Names & synonyms

18600-42-54-Nitrobenzylamine hydrochloride(4-nitrophenyl)methanamine HydrochlorideMFCD000128634-Nitrobenzylamine HClp-Nitrobenzylamine hydrochlorideBenzenemethanamine, monohydrochloride(4-NITROPHENYL)METHANAMINE HCL(4-nitrophenyl)methanamine;hydrochloridep-nitrobenzylaminehydrochloridep-nitro-benzylaminehydrochloride4-nitro benzylamine hydrochloride

Show more names

p-NitrobenzylamineHClp-nitro-benzylaminhydrochloride4-NitrobenzylamineHydrochloride>4-nitrobenzylammonium hydrochloride4-NITROBENZYLAMINE HYDROCHLORIDE 97%1-(4-Nitrophenyl)methanamine hydrochloride (1:1)

CS-0043155F31025Z1259155974AMY20752(4-nitrophenyl)methanamine,hydrochlorideFT-0637719SCHEMBL7264-nitrobenzylamine HCl salt

Database identifiers

CAS: 18600-42-5
PubChem CID: 11252467

Properties

Computed structural properties

Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 265 °C · ~265 °C (dec.)(lit.)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: methanol:glacial acetic acid (1:1): soluble25mg/mL, clear, colorless to light yellow
form: powder to crystal
color: White to Light yellow
Water Solubility: almost transparency
BRN: 3629994 · 3629994
Stability: Stable. Incompatible with acids, acid chlorides, acid anhydrides, oxidizing agents.
InChI: InChI=1S/C7H8N2O2.ClH/c8-5-6-1-3-7(4-2-6)9(10)11;/h1-4H,5,8H2;1H
InChIKey: SMIXZZMSWYOQPW-UHFFFAOYSA-N
SMILES: C1([N+]([O-])=O)C=CC(CN)=CC=1.Cl
CAS DataBase Reference: 18600 · 18600-42-5(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,T
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
RIDADR: 2811 · 2811
WGK Germany: 3 · 3
RTECS: 6705000 · DP6705000
HazardClass: 6.1 · 6.1(b)
PackingGroup: III
HS Code: 29214990 · 29214990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: DP6705000
ridadr: 2811
hs_code: 29214990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,T
safety_code: 26-36
hazard_class: 6.1(b)
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses4-Nitrobenzylamine hydrochloride was used in chemical modification of graphite powder and multiwalled carbon nanotubes. It was also used in the preparation of 2-fluoro-6-(4-nitrohenzylamino)purine.