Benzeneethanamine, 4-nitro-, hydrochloride (1:1)

HCID 458983

Basic information

CAS
29968-78-3
Standard SMILES
Cl.NCCc1ccc([N+](=O)[O-])cc1
InChIKey
JVMHULJEYUQYSH-UHFFFAOYSA-N
Molecular formula
C8H11ClN2O2
Average molar mass
202.64 g/mol

Names & identifiers

Preferred name
Benzeneethanamine, 4-nitro-, hydrochloride (1:1)
IUPAC
2-(4-nitrophenyl)ethanamine;hydrochloride
English name
4-Nitrophenethylamine hydrochloride
Molecular formula
C8H11ClN2O2
Molecular weight
202.64

Names & synonyms

29968-78-3RefChem:563179Benzeneethanamine, 4-nitro-, hydrochloride (1:1)4-Nitrophenethylamine hydrochloride4-Nitrophenylethylamine hydrochloride4-Nitrophenethylamine HCl2-(4-Nitrophenyl)ethylamine hydrochloride2-(4-nitrophenyl)ethanamine hydrochlorideMFCD00012900Benzeneethanamine, 4-nitro-, monohydrochloride2-(4-nitrophenyl)ethanamine;hydrochloride2-(4-nitrophenyl)ethan-1-amine hydrochloride
Show more names
4-NITROPHENYLETHYLAMINE HCLP-nitrophenyl riMantadine hydrochloride4-Nitrophcnethylamine4-NITROPHENYLAMINEHCLMirabegron Impurity 6 HClMirabegron EP Impurity E HCl
2-(4-nitrophenyl)ethylazanium Chloride4-Nitro-phenethylamine hydrochloridep-Nitrophenethylamine, hydrochlorideSCHEMBL115247p-nitrophenethylamine hydrochlorideP-NITROPHENYLETHYLAMINE HCLp-nitrophenylethylamine hydrochloride4--Nitrophenethylamine hydrochloride

Database identifiers

CAS
29968-78-3
PubChem CID
458983
EC Number
249-980-3

Properties

Computed structural properties

Topological polar surface area
71.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

Melting point
200 °C · 200 °C (dec.)(lit.)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Soluble in methanol almost transparency.
form
Crystalline Powder
color
Yellow to yellow-green
BRN
3568915 · 3568915

Safety & regulation

GHS classification

GHS Classification · 4 items

This chemical does not meet GHS hazard criteria for 7% (8 of 114) of reports.

H411 (91.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 114 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAquatic Chronic 2 (91.2%)

Safety data

wgk
3
hs_code
29214990
risk_code
36/37/38-40
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn

Chemistry & industry

Applications

Uses4-Nitrophenethylamine hydrochloride was used in the synthesis of ortho-metalated primary phenethylamines complexes containing six-membered palladacycles and N-(4-nitrophenethyl)formamide.

Preparation methods · 1 item

PreparationThe preparation of 4-Nitrophenethylamine hydrochloride is as follows:Ten mL of 2M HCl was then added in a one-pot fashion, and, in all cases but threonine, the reaction vessel was heated to 190°Cover 5 min with stirring and then allowed to cool. In the case of the temperature-sensitive threonine, soxhlet extraction with toluene was performed at 80°C to remove R-carvone from the reaction mixture. The aqueous reaction mixture was washed three times with 25 mL of ether, and then water solvent was distilled off from the hydrochloride salt. The hydrochloride salt was transferred to a vacuum oven and dried overnight at 150 °C and 10 Torr.

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
浙江荣大化工有限公司571-88086013

Related reactions

22 records

Compound notes

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