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624-18-0 molecular structure
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benzene-1,4-diamine dihydrochloride

ChemBase ID: 111011
Molecular Formular: C6H10Cl2N2
Molecular Mass: 181.063
Monoisotopic Mass: 180.02210369
SMILES and InChIs

SMILES:
Cl.Cl.Nc1ccc(N)cc1
Canonical SMILES:
Nc1ccc(cc1)N.Cl.Cl
InChI:
InChI=1S/C6H8N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h1-4H,7-8H2;2*1H
InChIKey:
IYXMNTLBLQNMLM-UHFFFAOYSA-N

Cite this record

CBID:111011 http://www.chembase.cn/molecule-111011.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzene-1,4-diamine dihydrochloride
IUPAC Traditional name
p-phenylenediamine dihydrochloride
Synonyms
1,4-Benzenediamine dihydrochloride
1,4-Diaminobenzene dihydrochloride
p-Phenylenediamine dihydrochloride
P-PHENYLENEDIAMINE DIHYDROCHLORIDE
1,4-Phenylenediamine dihydrochloride
Benzene-1,4-diamine dihydrochloride
对苯二胺二盐酸盐
1,4-苯二胺 二盐酸盐
对二氨基苯 二盐酸盐
CAS Number
624-18-0
EC Number
210-834-9
MDL Number
MFCD00013002
Beilstein Number
3911749
Merck Index
147285
PubChem SID
162096044
24898210
24887309
PubChem CID
12205

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.66595453  LogD (pH = 7.4) 0.2688585 
Log P 0.3153939  Molar Refractivity 35.4588 cm3
Polarizability 12.613847 Å3 Polar Surface Area 52.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
ca 265°C expand Show data source
RTECS
ST0350000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
1673 expand Show data source
UN2811 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
6.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
23/24/25-36-43-50/53 expand Show data source
Safety Statements
1/2-28-36/37-45-60-61 expand Show data source
28-36/37-45-60-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H311-H317-H319-H331-H410 expand Show data source
H301-H311-H331-H319-H317-H400-H410 expand Show data source
GHS Precautionary statements
P261-P273-P280-P301 + P310-P305 + P351 + P338-P311 expand Show data source
P261-P301+P310-P305+P351+P338-P361-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1673 6.1/PG 3 expand Show data source
Purity
≥99.0% expand Show data source
95+% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C6H4(NH2)2·2HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05217389 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - P1519 external link
Caution
储存中颜色会变深。
Sigma Aldrich - 78460 external link
Packaging
100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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