4-(4-Methoxyphenyl)thiophene-2-carboxylic acid

HCID 2736770
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Basic information

CAS
82437-74-9
Standard SMILES
COc1ccc(-c2csc(C(=O)O)c2)cc1
InChIKey
NWNYSAILYSWCEI-UHFFFAOYSA-N
Molecular formula
C12H10O3S
Average molar mass
234.27 g/mol
Monoisotopic mass
234.03506535

Names & identifiers

Preferred name
4-(4-Methoxyphenyl)thiophene-2-carboxylic acid
IUPAC
4-(4-methoxyphenyl)thiophene-2-carboxylic acid
English name
4-(4-Methoxyphenyl)thiophene-2-carboxylic acid
Molecular formula
C12H10O3S
Molecular weight
234.27

Names & synonyms

4-(4-methoxyphenyl)thiophene-2-carboxylic acid82437-74-9DTXSID40371589RefChem:288131DTXCID50322623804-616-82-Thiophenecarboxylicacid, 4-(4-methoxyphenyl)-MFCD00203285Peakdale1_000535SCHEMBL1308594HMS519I07NWNYSAILYSWCEI-UHFFFAOYSA-N
Show more names
4-(4-methoxyphenyl)-2-thiophenecarboxaldehyde4-(4-Methoxyphenyl)thiophene-2-carboxylic acid 95+%JR-9052, 4-(4-Methoxyphenyl)thiophene-2-carboxylic acid, 97%4-(4-Methoxyphenyl)-2-thenoic acid, 4-(5-Carboxythien-3-yl)anisole
SBB098256AKOS015851952FS-1757DB-056611CS-0206138F023729SR-01000384850SR-01000384850-1

Database identifiers

CAS
82437-74-9
PubChem CID
2736770
DTXSID
DTXSID40371589
EC Number
804-616-8
Nikkaji
J582.333A

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
74.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
16

Physicochemical properties

Melting point
193 · 193-169
Boiling point
398.4 · 398.4±37.0 °C(Predicted)
Density
1.296 · 1.296±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
3.7 · 3.70±0.10(Predicted)
Symbol(GHS)
2 · GHS02

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 39 reports by companies from 2 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 CategoriesAcute Tox. 4 (97.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

hs_code
2934999090
risk_code
22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS02
hazard_code
Xi,Xn
hazard_note
Irritant

Chemistry & industry

Suppliers21 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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CAS 82437-74-9 4-(4-Methoxyphenyl)thiophene-2-carboxylic acid (HCID 2736770)｜Huagongshe