2-Bromo-5-nitrothiophene

HCID 83222
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Basic information

CAS
13195-50-1
Standard SMILES
O=[N+]([O-])c1ccc(Br)s1
InChIKey
ZPNFMDYBAQDFDY-UHFFFAOYSA-N
Molecular formula
C4H2BrNO2S
Average molar mass
208.04 g/mol
Monoisotopic mass
206.89896

Names & identifiers

Preferred name
2-Bromo-5-nitrothiophene
IUPAC
2-bromo-5-nitrothiophene
English name
2-Bromo-5-nitrothiophene
Molecular formula
C4H2BrNO2S
Molecular weight
208.03

Names & synonyms

2-Bromo-5-nitrothiophene13195-50-1Thiophene, 2-bromo-5-nitro-DTXSID50157275EINECS 236-155-8NSC 511505RefChem:85787DTXCID0079766236-155-8ZPNFMDYBAQDFDY-UHFFFAOYSA-N5-bromo-2-nitrothiophene76216-72-3
Show more names
LABOTEST-BB LT004551005-Nitro-2-bromothiophene2-Nitro-5-bromothiophene2-Bromo-5-Nitrothiophene 99%2-Bromo-5-nitrothiophene ,98%2-Bromo-5-nitrothiophene, 97%2-Bromo-5-nitrothiophene CAS NO.13195-50-1
2-Bromo-5-nitro-thiopheneMFCD000224935-bromo-2-nitro-thiopheneSCHEMBL721463AMY20173SY003503Z600427368NSC511505

Database identifiers

CAS
13195-50-1
PubChem CID
83222
DTXSID
DTXSID50157275
EC Number
236-155-8
Nikkaji
J213.741K

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
74.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Melting point
44 · 44-48 °C (lit.)
Boiling point
235 · 235-237°C
Density
1.945 · 1.945±0.06 g/cm3(Predicted)
Flash point
235 · 235-237°C
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
form
solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29349990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses2-Bromo-5-nitrothiophene may be used in the preparation of:3-bromo-4-(5-nitro-2-thienyl)-6-ethoxypyridine5-chloro-2-methoxy-4-(5-nitrothien-2-yl)-pyridine5-(5-nitrothien-2-yl)pyrimidine2-methoxy-5-(5-nitrothien-2-yl)pyrimidine

General Description2-Bromo-5-nitrothiophene is a heteroaryl halide that can be prepared from thiophene by bromination followed by nitration. It participates in the synthesis of oligothiophene precursors for generating (porphinato)zinc(II)-based chromophores.

Upstream & downstream products

Suppliers100 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

36 records
New reaction record

Compound notes

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