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89-97-4 molecular structure
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(2-chlorophenyl)methanamine

ChemBase ID: 10670
Molecular Formular: C7H8ClN
Molecular Mass: 141.59812
Monoisotopic Mass: 141.03452694
SMILES and InChIs

SMILES:
c1ccc(c(c1)CN)Cl
Canonical SMILES:
NCc1ccccc1Cl
InChI:
InChI=1S/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2
InChIKey:
KDDNKZCVYQDGKE-UHFFFAOYSA-N

Cite this record

CBID:10670 http://www.chembase.cn/molecule-10670.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-chlorophenyl)methanamine
IUPAC Traditional name
(2-chlorophenyl)methanamine
Synonyms
(2-Chlorophenyl)methylamine
2-Chlorobenzylamine 97%
(2-chlorophenyl)methanamine
1-(2-Chlorophenyl)methanamine
2-Chlorobenzenemethanamine
NSC 60118
o-Chlorobenzylamine
o-Chlorobenzyl amine
2-Chlorobenzylamine
2-Chlorobenzylamine
2-氯苄胺
邻氯苄胺
CAS Number
89-97-4
EC Number
201-955-8
MDL Number
MFCD00008108
Beilstein Number
907186
PubChem SID
24892521
160973977
PubChem CID
66648

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2474346  LogD (pH = 7.4) -0.089628845 
Log P 1.703059  Molar Refractivity 39.3362 cm3
Polarizability 15.556212 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
103-104 °C/11 mmHg(lit.) expand Show data source
103-104°C/11mm expand Show data source
227°C expand Show data source
Flash Point
190.4 °F expand Show data source
88 °C expand Show data source
88°C expand Show data source
88°C(190°F) expand Show data source
Density
1.170 expand Show data source
1.173 expand Show data source
1.173 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5620 expand Show data source
1.5630 expand Show data source
n20/D 1.562(lit.) expand Show data source
Storage Warning
Air Sensitive expand Show data source
AIR SENSITIVE, CORROSIVE expand Show data source
Corrosive/Air Sensitive/Store under Argon expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2735 expand Show data source
UN2735 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
34 expand Show data source
34-37 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
H314-H318-H227 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
P280-P305+P351+P338-P309-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2735 8/PG 2 expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
ClC6H4CH2NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - C27204 external link
Packaging
25, 100 g in glass bottle
Toronto Research Chemicals - C364705 external link
2-Chlorobenzylamine is a chlorinated derivative of benzylamine. 2-Chlorobenzylamine showed plasmin inhibitory activity as well as inhibition of bovine thrombin activity.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Landmann, H.: Haematol. Supp., 1, 169 (1970)
  • • Markwardt, F. et al.: Pharmazie, 24, 400 (1970)
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PATENTS

PATENTS

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INTERNET

INTERNET

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