Molfinder
主页
技术支持
关于我们
数据来源
数据统计
博客
Molecule
ID:19163
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₆H₈BrClN₂
Molecular Mass
223.49812
Exact Mass
221.95593795
Charge
0
InChI
InChI=1S/C6H7BrN2.ClH/c7-5-1-3-6(9-8)4-2-5;/h1-4,9H,8H2;1H
InChIKey
RGGOWBBBHWTTRE-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1)Br.Cl
Isomeric Smiles
Cl.c1c(ccc(c1)NN)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9244157
LogD (pH = 7.4)
2.1302688
Log P
2.133641
Molar Refractivity
43.3875
Polarizability
15.693236
Polar Surface Area
38.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...
Quote
Download
Navigation
General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
Synonyms
•
IUPAC Traditional name
•
IUPAC name
Registration numbers
Properties
•
Product Information
•
Physical Property
•
Safety Information
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR21686
OR5273
InterBioScreen
BB_SC-6247
Sigma Aldrich
143219
18070
Matrix Scientific
021420
Chemik
CHB95000
Enamine
EN300-27209
Alfa Aesar
A15590
Academic Data
PubChem
12157
Names and Identifiers
Synonyms
4-Bromophenylhydrazine monohydrochloride
1-Bromo-4-hydrazinobenzene monohydrochloride
4-Bromophenylhydrazine hydrochloride 98%
4-Bromophenylhydrazine hydrochloride
(4-bromophenyl)hydrazine hydrochloride
4-溴苯肼 盐酸盐
4-Bromophenylhydrazine hydrochloride
4-溴苯肼盐酸盐
IUPAC Traditional name
hydrazine, (4-bromophenyl)- hydrochloride
IUPAC name
(4-bromophenyl)hydrazine hydrochloride
Registration numbers
MDL Number
MFCD00012941
CAS Number
41931-18-4
622-88-8
Beilstein Number
3565838
EC Number
255-590-4
PubChem SID
24850889
24848576
160982470
PubChem CID
12157
Molecule Details
Sigma Aldrich
143219
Packaging
10, 50 g in poly bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
MDL Number
•
CAS Number
•
Beilstein Number
•
EC Number
•
PubChem SID
•
PubChem CID
Properties
Product Information
Purity
98%
Source
99%
Source
≥99.0% (AT)
Source
95%
Source
97%
Source
Salt Data
HCl
Source
Linear Formula
BrC6H4NHNH2·HCl
Source
Grade
puriss.
Source
Ignition Residue
≤0.2%
Source
Physical Property
Melting Point
213-217°C
Source
220-230(dec.)°C
Source
211-214(dec.)°C
Source
220-230 °C (dec.)(lit.)
Source
209 - 211°C
Source
ca 215°C dec.
Source
Hydrophobicity(logP)
2.43
Source
Safety Information
MSDS Link
Download link
Source
Download link
Source
Download link
Source
Storage Warning
IRRITANT
Source
Corrosive/Harmful/Light Sensitive/Keep Cold/Store under Argon
Source
Irritant
Source
false
Source
是
Source
UN 3261 8/PG 2
Source
34
Source
22
-
36/37/38
Source
H314
Source
H301
-
H315
-
H319
-
H335
Source
Danger
Source
26
-
36/37/39
-
45
Source
26
-
36/37
Source
3
Source
P280
-
P305+P351+P338
-
P310
Source
P261
-
P301+P310
-
P305+P351+P338
-
P302+P352
-
P405
-P501A
2
Source
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Source
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
8
Source
MV0800000
Source
3261
Source
Corrosive (C)
Source
Source
Acute toxicity (oral, dermal, inhalation), categories 1,2,3
Source
Source
Harmful (X)
Source
TSCA Listed
RID/ADR
Risk Statements
GHS Hazard statements
GHS Signal Word
Safety Statements
German water hazard class
GHS Precautionary statements
Packing Group
Personal Protective Equipment
GHS Pictograms
Hazard Class
RTECS
UN Number
European Hazard Symbols