4-Chloro-2-methylbenzoic acid

HCID 348269CAS 7499-07-2
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Grundinformationen

Standard-SMILES
Cc1cc(Cl)ccc1C(=O)O
InChIKey
XXFKOBGFMUIWDH-UHFFFAOYSA-N
Summenformel
C8H7ClO2
Durchschnittliche Molmasse
170,59 g/mol
Monoisotopische Masse
170,0134572

Namen und Bezeichner

Bevorzugter Name
4-Chloro-2-methylbenzoic acid
IUPAC
4-chloro-2-methylbenzoic acid
Englischer Name
4-CHLORO-2-METHYLBENZOIC ACID
Summenformel
C8H7ClO2
Molmasse
170.59

Namen und Synonyme

4-Chloro-2-methylbenzoic acid7499-07-2DTXSID60324678RefChem:98383DTXCID40275795625-372-7Benzoic acid, 4-chloro-2-methyl-MFCD000458524-Chloro-o-toluic acid4-chloro-2-methyl-benzoic acido-Toluic acid, 4-chloro-NSC-407521
Weitere Namen anzeigen
RARECHEM AL BO 04722-METHYL-4-CHLOROBENZOIC ACIDBenzoic acid,4-chloro-2-methyl-4-Chloro-2-methylbenzoicacid,98%4-Chloro-2-methylbenzoic Acid >4-Chloro-2-Methylbenzoic Acid, 97+%2-Carboxy-5-chlorotoluene, 4-Chloro-o-toluic acid
4-chloro-2-methylbenzoicacidNSC407521P66MF6GZK7SCHEMBL109654orb3030525SCHEMBL8483793XXFKOBGFMUIWDH-UHFFFAOYSA-NCL8113

Datenbank-Bezeichner

CAS
7499-07-2
PubChem CID
348269
DTXSID
DTXSID60324678
UNII
P66MF6GZK7
EC Number
625-372-7、917-372-3
Nikkaji
J855.110C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,4
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
11

Physikochemische Eigenschaften

Schmelzpunkt
167 · 167-171 °C (lit.)
Siedepunkt
300.3 · 300.3±22.0 °C(Predicted)
Dichte
1.31 · 1.310±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
Löslichkeit
DMSO (Slightly), Methanol (Slightly)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (88.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 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.

Gefahrenhinweise

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (88.6%)；Skin Irrit. 2 (11.4%)；Eye Dam. 1 (88.6%)；Eye Irrit. 2A (11.4%)

Regulatorische Informationen

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29163990
risk_code
22-41
hazard_code
Xn,Xi
safety_code
26-37/39

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzoic acid, 4-chloro-2-methyl-: ACTIVE

Anwendungen

Verwenden4-Chloro-2-methylbenzoic acid can be used in the synthesis of:4-chloro-2-methylbenzophenone via Freidel Craft′s acylation with benzene4-chloro-2-methyl-5-(methylsulfonyl)benzoic acid4-chloro-2-methyl-3-nitrobenzoic acid methyl ester

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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