3,5-Dichloro-2,6-dimethoxybenzoic Acid

HCID 2774750CAS 73219-91-7
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Grundinformationen

Standard-SMILES
COc1c(Cl)cc(Cl)c(OC)c1C(=O)O
InChIKey
JPIAALCEQSLBKF-UHFFFAOYSA-N
Summenformel
C9H8Cl2O4
Durchschnittliche Molmasse
251,06 g/mol
Monoisotopische Masse
249,9799641

Namen und Bezeichner

Bevorzugter Name
3,5-Dichloro-2,6-dimethoxybenzoic Acid
IUPAC
3,5-dichloro-2,6-dimethoxybenzoic acid
Englischer Name
3,5-Dichloro-2,6-dimethoxybenzoic acid
Summenformel
C9H8Cl2O4
Molmasse
251.06

Namen und Synonyme

3,5-dichloro-2,6-dimethoxybenzoic acid73219-91-7DTXSID10379198RefChem:271635DTXCID10330224630-133-5C9H8Cl2O43,5-Dichloro-2,6-dimethoxy-benzoic acidMFCD001739103,5-Dichloro-2,6-dimethoxybenzoicAcidOprea1_675751CCG-44342
Weitere Namen anzeigen
3,5-dichloro-2,6-dimethoxybenzoate3,5-Dichloro-2,6-dimethoxybenzoicAcid>Benzoic acid, 3,5-dichloro-2,6-dimethoxy-3,5-DICHLORO-2,6-DIMETHOXYBENZOIC ACID 98%
AKOS016846149AS-63658D4133SR-01000634183-1Maybridge1_001772SCHEMBL1323406HMS546I12FD69831

Datenbank-Bezeichner

CAS
73219-91-7
PubChem CID
2774750
DTXSID
DTXSID10379198
EC Number
630-133-5
Nikkaji
J1.212.416C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,6
Polarare Oberfläche (TPSA)
55,8 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
3
Schwere Atome
15

Physikochemische Eigenschaften

Schmelzpunkt
99 · 99-101°C
Siedepunkt
362.3 · 362.3±37.0 °C(Predicted)
Dichte
1.443 · 1.443±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
Löslichkeit
DCM
pka
3.24 · 3.24±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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 2 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)

Sicherheitsdaten

hs_code
2918999090
risk_code
36/37/38
hazard_code
Xi
hazard_note
Irritant
safety_code
26-37/39

Chemie und Industrie

Anwendungen

Verwenden3,5-Dichloro-2,6-dimethoxybenzoic Acid is an intermediate in the synthesis of doapmine D2 receptor antagonists.

Anbieter34 Anbieter

上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]

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