1,3-Cyclohexanedicarboxylic acid

HCID 107205CAS 3971-31-1
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Grundinformationen

Standard-SMILES
O=C(O)C1CCCC(C(=O)O)C1
InChIKey
XBZSBBLNHFMTEB-UHFFFAOYSA-N
Summenformel
C8H12O4
Durchschnittliche Molmasse
172,18 g/mol
Monoisotopische Masse
172,07355886

Namen und Bezeichner

Bevorzugter Name
1,3-Cyclohexanedicarboxylic acid
IUPAC
cyclohexane-1,3-dicarboxylic acid
Englischer Name
1,3-Cyclohexanedicarboxylic acid
Summenformel
C8H12O4
Molmasse
172.18

Namen und Synonyme

1,3-Cyclohexanedicarboxylic acidcyclohexane-1,3-dicarboxylic acidUNII-8DAS52OH658DAS52OH65DTXSID70883923hexahydroisophthalic acidRefChem:72546DTXCID0010234033-CARBOXYCYCLOHEXANECARBOXYLIC ACID1,3-BENZENEDICARBOXYLIC ACID, HEXAHYDRO-1,3-CYCLOHEXANEDICARBOXYLIC ACID (CIS-AND TRANS-MIXTURE)629-360-2
Weitere Namen anzeigen
Cyclohexane-1,3-dicarboxylicaciCyclohexan-1,3-dicarboxylic acid1,3-cyclohexanedicarboxylicacid,mixtureofA mixture of: cis-1,3-cyclohexanedicarboxylic acid1,3-Cyclohexanedicarboxylic acid (7CI, 8CI, 9CI, ACI)1,3-Cyclohexanedicarboxylic acid,mixture of cis and trans1,3-Cyclohexanedicarboxylic Acid (cis- and trans- mixture)
A MIXTURE OF: CIS-1,3-CYCLOHEXANEDICARBOXYLIC ACID; TRANS-1,3-CYCLOHEXANEDICARBOXYLICACIDXBZSBBLNHFMTEB-UHFFFAOYSA-N3971-31-1MFCD001344111,3-cyclohexanedicarboxylicSCHEMBL35888SCHEMBL5966217SCHEMBL21085116

Datenbank-Bezeichner

CAS
3971-31-1
PubChem CID
107205
DTXSID
DTXSID70883923
ChEBI
CHEBI:229982
EC Number
432-490-0、629-360-2
Nikkaji
J70.256K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,7
Polarare Oberfläche (TPSA)
74,6 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
2
Schwere Atome
12

Physikochemische Eigenschaften

Schmelzpunkt
132 · 132-141 °C(lit.)
Siedepunkt
332.4 · 332.4±25.0 °C(Predicted)
Dichte
1.314 · 1.314±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
soluble in Methanol
Aggregatzustand
powder to crystal

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 40 reports by companies from 3 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 Information · 2 Einträge

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

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4921

Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (96.6%)

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

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

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4921

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29172090
risk_code
36/37/38-41
hazard_code
Xi
safety_code
26-37/39

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,3-Cyclohexanedicarboxylic acid: ACTIVE

Anwendungen

Verwenden1,3-Cyclohexanedicarboxylic acid can be used in the synthesis of organic materials and liquid crystal materials.

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]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

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