2-Thiazolamine, 5-bromo-
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Basic information
- CAS
3034-22-8- Standard SMILES
Nc1ncc(Br)s1- InChIKey
ARHCLXWELPFVFQ-UHFFFAOYSA-N- Molecular formula
- C3H3BrN2S
- Average molar mass
- 179.04 g/mol
- Monoisotopic mass
- 177.9200312
Names & identifiers
- Preferred name
- 2-Thiazolamine, 5-bromo-
- IUPAC
- 5-bromo-1,3-thiazol-2-amine
- English name
- 2-Amino-5-bromothiazole
- Molecular formula
- C3H3BrN2S
- Molecular weight
- 179.04
Names & synonyms
2-Amino-5-bromothiazole5-Bromo-1,3-thiazol-2-amine2-Thiazolamine, 5-bromo-RefChem:483723819-500-2924-305-13034-22-85-bromothiazol-2-amine5-Bromo-thiazol-2-ylamineMFCD000168932-amino-5-bromo-thiazole5-bromo-1,3-thiazole-2-ylamine
Show more names
5-broMo-2-aMino-thiazole5-BROMO-2-AMINOTHIAZOLE HYDROBROMIDETIMTEC-BB SBB0002045-Bromo-2-thiazolamine5-Bromothiazole-2-amine
5-Bromothiazol-2-ylamine5-bromo-2-aminothiazole2-amino-5 -bromothiazole5-bromo-thiazol-2-yl-amineSCHEMBL344676orb3174570SCHEMBL9328902CHEMBL5179176
Database identifiers
- CAS
3034-22-8- PubChem CID
- 43600
- DTXSID
DTXSID20275455- ChEMBL
CHEMBL5179176- EC Number
- 819-500-2、924-305-1
- Nikkaji
- J59.596I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 70
Physicochemical properties
- Melting point
- 165 °C · 165 °C (dec.)(lit.)
- Boiling point
- 287.6 · 287.6±13.0 °C(Predicted)
- Density
- 1.976 · 1.976±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- form
- solid
- pka
- 3.22 · 3.22±0.10(Predicted)
- color
- White
- InChI
- InChI=1S/C3H3BrN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)
- InChIKey
- ARHCLXWELPFVFQ-UHFFFAOYSA-N
- SMILES
- S1C(Br)=CN=C1N
- CAS DataBase Reference
- 3034 · 3034-22-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P312
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information2-Thiazolamine, 5-bromo-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- rtecs
- XJ1262200
- hs_code
- 2934100090
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37
- Hazard statements
- H302+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P312
Chemistry & industry
Applications
Uses2-Amino-5-bromothiazole is a type of aliphatic hydrocarbon that has been synthesized by Friedel-Crafts acylation. This chemical is used to neutralize typhimurium and can be used in the synthesis of other compounds. The functional theory on how 2-amino-5-bromothiazole works may be due to its ability to form nitro groups, which are highly reactive and cause depression in the reaction scheme. 2-Amino-5-bromothiazole is often used as a test organism for other organisms in order to measure their sensitivity to different types of chemicals. It has also been shown that it has an effect on hydrocarbons, which have been shown to have an effect on organisms such as bacteria.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
85 records
Compound notes
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