2-Thiophenecarboxaldehyde, 5-chloro-

HCID 81700
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Basic information

CAS
7283-96-7
Standard SMILES
O=Cc1ccc(Cl)s1
InChIKey
VWYFITBWBRVBSW-UHFFFAOYSA-N
Molecular formula
C5H3ClOS
Average molar mass
146.6 g/mol
Monoisotopic mass
145.9593134

Names & identifiers

Preferred name
2-Thiophenecarboxaldehyde, 5-chloro-
IUPAC
5-chlorothiophene-2-carbaldehyde
English name
2-Chloro-5-thiophenecarboxaldehyde
Molecular formula
C5H3ClOS
Molecular weight
146.59

Names & synonyms

7283-96-75-Chlorothiophene-2-carbaldehyde5-Chloro-2-thiophenecarboxaldehyde2-Thiophenecarboxaldehyde, 5-chloro-5-Chloro-2-formylthiophene5-Chlorothiophene-2-aldehydeDPU4RVB7PTEINECS 230-708-7DTXSID6064614RefChem:483772DTXCID60473672-Chloro-5-thiophenecarboxaldehyde
Show more names
BUTTPARK 29\08-47TIMTEC-BB SBB0041002-Chloro-5-thiopheneoro-2-thiophenecarboxaLRivaroxaban Impurity 125Chlorothiophene AldehydeRivaroxaban Impurity RC30
5-Chlorothiophene-2-carboxaldehydeMFCD000470902-Chloro-5-formylthiopheneRivaroxaban Impurity 1005-chloro-2-thiophenaldehyde5-Chloro-2-thiophene-carboxaldehydeUNII-DPU4RVB7PTSCHEMBL41212

Database identifiers

CAS
7283-96-7
PubChem CID
81700
DTXSID
DTXSID6064614
UNII
DPU4RVB7PT
EC Number
230-708-7
Nikkaji
J212.281B

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
45.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
8

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Boiling point
99 °C/21 · 99 °C/21 mmHg (lit.)
Density
1.376 g/mL · 1.376 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.604(lit.)
Flash point
208 °F · 208 °F
storage temp.
-20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (87.2%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
2810
hs_code
29124990
risk_code
20/21/22-43-36-36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Thiophenecarboxaldehyde, 5-chloro-: INACTIVE
Applications · 3 items

Uses5-Chloro-2-thiophenecarboxaldehyde is used in the evaluation of 2-benzylidene-1-tetralone derivative as antagonists of A1 and A2A adenosine receptors.

Uses5-Chloro-2-thiophenecarboxaldehyde may be used for synthesis of 2-heteroaryl-α-methyl-5-benzoxazoleacetic acids and N,N′-bis[(E)-(5-chloro-2-thienyl)methylidene]ethane-1,2-diamine

General Description5-Chloro-2-thiophenecarboxaldehyde is a thiophene derivative.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

Related reactions

55 records
New reaction record

Compound notes

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