CAS 73873-59-3 Rac-(1r,4r)-4-methoxycyclohexane-1-carboxylic acid (HCID 736153)

Overview

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Names & identifiers

Preferred name: Rac-(1r,4r)-4-methoxycyclohexane-1-carboxylic acid
IUPAC: 4-methoxycyclohexane-1-carboxylic acid
English name: cis-4-methoxycyclohexane-1-carboxylic acid
Molecular formula: C8H14O3
Molecular weight: 158.2

Names & synonyms

73873-61-773873-59-3RefChem:873123Rac-(1r,4r)-4-methoxycyclohexane-1-carboxylic acidrac-(1s,4s)-4-methoxycyclohexane-1-carboxylic acid892-635-2992-407-34-METHOXYCYCLOHEXANECARBOXYLIC ACID95233-12-8trans-4-methoxycyclohexanecarboxylic acid4-methoxycyclohexane-1-carboxylic Acidcis-4-methoxycyclohexane-1-carboxylic acid

Show more names

(1S,4S)-4-METHOXYCYCLOHEXANECARBOXYLIC ACID(1s,4s)-4-Methoxycyclohexane-1-carboxylic acidrel-(1S,4S)-4-Methoxycyclohexanecarboxylic acidrel-(1s,4s)-4-methoxycyclohexane-1-carboxylic acidcis-4-methoxycyclohexanecarboxylic acid - [M25142]

trans-4-methoxycyclohexane-1-carboxylic acidcis-4-methoxycyclohexanecarboxylic acidCyclohexanecarboxylic acid, 4-methoxy-MFCD00074992MFCD20488929(1r,4r)-4-methoxycyclohexane-1-carboxylic acidTrans-4-methoxycyclohexane carboxylic acidCyclohexanecarboxylic acid, 4-methoxy-, cis-

Database identifiers

CAS: 73873-59-3、73873-61-7、95233-12-8
PubChem CID: 736153
DTXSID: DTXSID801347396
EC Number: 892-635-2、992-407-3
Nikkaji: J785.085I、J814.345E

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 54.8 · 54.8-55.8 °C
Boiling point: 266.6 · 266.6±33.0 °C(Predicted)
Density: 1.09 · 1.09±0.1 g/cm3(Predicted)
storage temp.: 0 · Store at 0-8 °C
pka: 4.81 · 4.81±0.25(Predicted)
Appearance: colorless oil
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H331
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Hazard information

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H301-H311-H331
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501

Chemistry & industry

Applications

Usescis-4-Methoxycyclohexane-1-carboxylic Acid is used in the preparation of tricyclic guanidine derivs. useful as inhibitors of PDE1 in the treatment of neurological or psychiatric disorders.