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Molecule
ID:78554
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₇H₁₀Cl₂N₂
Molecular Mass
193.0737
Exact Mass
192.02210369
Charge
0
InChI
InChI=1S/C7H9ClN2.ClH/c1-5-2-3-6(10-9)4-7(5)8;/h2-4,10H,9H2,1H3;1H
InChIKey
DQDFVQJOXLGGBL-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(c(c1)Cl)C.Cl
Isomeric Smiles
N(c1cc(c(cc1)C)Cl)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.2854605
LogD (pH = 7.4)
2.4792285
Log P
2.4823544
Molar Refractivity
45.6107
Polarizability
16.517385
Polar Surface Area
38.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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Quote
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
Synonyms
•
IUPAC Traditional name
•
IUPAC name
Registration numbers
Properties
•
Safety Information
•
Physical Property
•
Product Information
Related Proteins
Molecular Spectra
Molecule Details
•
MP Biomedicals
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Maybridge
SB01976
MP Biomedicals
05225461
Apollo Scientific
OR2034
Sigma Aldrich
153435
Enamine
EN300-03548
Alfa Aesar
B22053
A&J Pharmtech
AJA-O4775
Academic Data
PubChem
3085075
Names and Identifiers
Synonyms
3-氯-4-甲基苯肼 盐酸盐
3-Chloro-p-tolylhydrazine hydrochloride
3-CHLORO-p-TOLYLHYDRAZINE HYDROCHLORIDE
3-Chloro-4-methylphenylhydrazine hydrochloride
1-(3-chloro-4-methylphenyl)hydrazine hydrochloride
2-Chloro-4-hydrazino-1-methylbenzene hydrochloride
(3-chloro-4-methylphenyl)hydrazine hydrochloride
3-氯-4-甲基苯肼 盐酸
3-Chloro-p-tolylhydrazine hydrochloride
3-Chloro-4-methylphenylhydrazine hydrochloride
IUPAC Traditional name
(3-chloro-4-methylphenyl)hydrazine hydrochloride
IUPAC name
(3-chloro-4-methylphenyl)hydrazine hydrochloride
Registration numbers
MDL Number
MFCD00012936
CAS Number
51304-65-5
54812-56-5
EC Number
259-357-8
PubChem SID
162043317
24849342
PubChem CID
3085075
Molecule Details
MP Biomedicals
05225461
MP Biomedicals Rare Chemical collection
Sigma Aldrich
153435
Packaging
10 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
MDL Number
•
CAS Number
•
EC Number
•
PubChem SID
•
PubChem CID
Properties
Safety Information
Storage Warning
Irritant/Hygroscopic
Source
Hygroscopic
Source
MSDS Link
Download link
Source
Download link
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
European Hazard Symbols
Harmful (Xn)
Source
Irritant (Xi)
GHS Precautionary statements
P261
-
P280
-
P305+P351+P338
Source
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
GHS Hazard statements
H302
-
H312
-
H315
-
H319
-
H332
-
H335
Source
H315
-
H319
-
H335
Source
Risk Statements
20/21/22
-
36/37/38
Source
36/37/38
Source
GHS Signal Word
Warning
Source
German water hazard class
3
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
Safety Statements
26
-
37/39
Source
26
-
37
Source
TSCA Listed
否
Source
Physical Property
Melting Point
230-231°C
Source
247 °C (dec.)(lit.)
Source
233 - 235°C
Source
ca 233°C dec.
Source
Hydrophobicity(logP)
2.779
Source
Product Information
Purity
97%
Source
95%
Source
Certificate of Analysis
Download link
Source
Linear Formula
ClC6H3(CH3)NHNH2·HCl
Source
Salt Data
HCl
Source
Source