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41931-18-4 molecular structure
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(4-bromophenyl)hydrazine hydrochloride

ChemBase ID: 19163
Molecular Formular: C6H8BrClN2
Molecular Mass: 223.49812
Monoisotopic Mass: 221.95593795
SMILES and InChIs

SMILES:
Cl.c1c(ccc(c1)NN)Br
Canonical SMILES:
NNc1ccc(cc1)Br.Cl
InChI:
InChI=1S/C6H7BrN2.ClH/c7-5-1-3-6(9-8)4-2-5;/h1-4,9H,8H2;1H
InChIKey:
RGGOWBBBHWTTRE-UHFFFAOYSA-N

Cite this record

CBID:19163 http://www.chembase.cn/molecule-19163.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-bromophenyl)hydrazine hydrochloride
IUPAC Traditional name
hydrazine, (4-bromophenyl)- hydrochloride
Synonyms
1-Bromo-4-hydrazinobenzene monohydrochloride
4-Bromophenylhydrazine monohydrochloride
4-Bromophenylhydrazine hydrochloride
4-Bromophenylhydrazine hydrochloride 98%
4-Bromophenylhydrazine hydrochloride
(4-bromophenyl)hydrazine hydrochloride
4-溴苯肼 盐酸盐
4-溴苯肼盐酸盐
CAS Number
41931-18-4
622-88-8
EC Number
255-590-4
MDL Number
MFCD00012941
Beilstein Number
3565838
PubChem SID
160982470
24848576
24850889
PubChem CID
12157

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9244157  LogD (pH = 7.4) 2.1302688 
Log P 2.133641  Molar Refractivity 43.3875 cm3
Polarizability 15.693236 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
209 - 211°C expand Show data source
211-214(dec.)°C expand Show data source
213-217°C expand Show data source
220-230 °C (dec.)(lit.) expand Show data source
220-230(dec.)°C expand Show data source
ca 215°C dec. expand Show data source
Hydrophobicity(logP)
2.43 expand Show data source
Storage Warning
Corrosive/Harmful/Light Sensitive/Keep Cold/Store under Argon expand Show data source
IRRITANT expand Show data source
Irritant expand Show data source
RTECS
MV0800000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
UN Number
3261 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
Risk Statements
22-36/37/38 expand Show data source
34 expand Show data source
Safety Statements
26-36/37 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
H314 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
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 expand Show data source
RID/ADR
UN 3261 8/PG 2 expand Show data source
Purity
≥99.0% (AT) expand Show data source
95% expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
puriss. expand Show data source
Salt Data
HCl expand Show data source
Ignition Residue
≤0.2% expand Show data source
Linear Formula
BrC6H4NHNH2·HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 143219 external link
Packaging
10, 50 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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