CAS 13078-80-3 2-(2-Chlorophenyl)ethylamine (HCID 83117)

Overview

RN given refers to parent cpd

Names & identifiers

Preferred name: 2-(2-Chlorophenyl)ethylamine
IUPAC: 2-(2-chlorophenyl)ethanamine
English name: 2-Chlorophenethylamine
Molecular formula: C8H10ClN
Molecular weight: 155.62

Names & synonyms

13078-80-32-(2-Chlorophenyl)ethylamineo-Chlorophenethylamine2-Chloro-2-phenethylamineHS4BM7QJE4ortho-chlorophenethylamineDTXSID30156741RefChem:855218DTXCID3079232235-982-12-chlorophenylethylamine2-(2-Chlorophenyl)ethanamine

Show more names

OCPAMTIMTEC-BB SBB004022RARECHEM AL BW 00492-CHLOROPHENETYLAMINE2'-CHLOROPHENETHYLAMINE

2-ChlorophenethylamineBenzeneethanamine, 2-chloro-2-(2-chlorophenyl)ethan-1-amine1-Amino-2-(2-chlorophenyl)ethaneMFCD000081852-chlorobenzeneethanamine2-(2-chloro-phenyl)-ethylamineCHEMBL407939

Database identifiers

CAS: 13078-80-3
PubChem CID: 83117
DTXSID: DTXSID30156741
ChEMBL: CHEMBL407939
UNII: HS4BM7QJE4
EC Number: 235-982-1
Nikkaji: J28.379G

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 95.3

Physicochemical properties

Melting point: 145 °C · 145 °C
Boiling point: 120 °C15 · 120 °C15 mm Hg(lit.)
Density: 1.106 g/mL · 1.106 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.551(lit.)
Flash point: 228 °F · 228 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 9.56 · 9.56±0.10(Predicted)
form: Liquid
Specific Gravity: 1.11 · 1.11
color: Clear colorless to yellow
InChI: 1S/C8H10ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
InChIKey: RZBOMSOHMOVUES-UHFFFAOYSA-N
SMILES: NCCc1ccccc1Cl
CAS DataBase Reference: 13078 · 13078-80-3(CAS DataBase Reference)
FDA UNII: 4 BM7QJE4 · HS4BM7QJE4
NIST Chemistry Reference: 2 · Benzeneethanamine, 2-chloro-(13078-80-3)
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: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,C
Risk Statements: 36 · 36/37/38-34
Safety Statements: 26 · 26-36-45-36/37/39
RIDADR: 2735 · UN 2735 8/PG 3
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: IRRITANT, IRRITANT-HARMFUL
HS Code: 29214990 · 29214990
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 (95.2%): 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 42 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (95.2%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2735 8/PG 3
hs_code: 29214990
risk_code: 36/37/38-34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi,C
hazard_note: Irritant
safety_code: 26-36-45-36/37/39
hazard_class: IRRITANT, IRRITANT-HARMFUL
Storage Class: 8A - Combustible corrosive hazardous materials
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

Uses2-(2-Chlorophenyl)ethylamine was used in the synthesis of polymer bound BOC substituted sulfamides.

Upstream & downstream products

Upstream raw materials

BenzenepropanaMide, 2-chloro-1-chloro-2-[(E)-2-nitroethenyl]benzene Benzenepropanoyl chloride, 2-chloro-2-AMINO-3-(2-CHLORO-PHENYL)-PROPIONIC ACID 4-Chlorophenethylamine 2-Chlorobenzyl chloride 2-Chlorobenzaldehyde 2-(2-Chlorophenyl)acetonitrile 2-PhenylethylaMine

Downstream products

5-AMINO-3-PYRIDINECARBONITRILE SPhos Pd G1, Methyl t-Butyl Ether Adduct XPhos Pd G1

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

68 records

New reaction record

HRID 14727As reactantuspto-grants-2010_06

HRID 138709As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 179804As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 183699As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 184042As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 186774As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 211722As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 233682As reactantuspto-grants-1997_01

Compound notes

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Basic information