1,4-Cyclohexanedicarboxylic acid - CAS 1076-97-7

Name: 1,4-Cyclohexanedicarboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB002122
Product Name:	1,4-Cyclohexanedicarboxylic acid
CAS:	1076-97-7
Synonyms:	0

Technical Data

IUPAC Name:	cyclohexane-1,4-dicarboxylic acid
Description:	1,4-Cyclohexanedicarboxylic acid (CAS# 1076-97-7) is used in preparation method of Polyester resin for metal coating.
Molecular Weight:	172.18
Molecular Formula:	0
Canonical SMILES:	0
InChI:	0
InChI Key:	0
Boiling Point:	384.1 °C at 760 mmHg
Melting Point:	165-168 °C
Flash Point:	235°C
Purity:	> 98.0 % (GC) (T)
Density:	1.314 g/cm³
Appearance:	White crystal
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00001465
LogP:	0.96200
Refractive Index:	1.4450 (estimate)
Stability:	Stable under normal temperatures and pressures.
Vapor Pressure:	0.0112mmHg at 25°C

GHS Hazard Statement:	H302 (28.95%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
JP-2021137697-A	Cyclic compound separation or purification methods, cyclic compound production methods, separators, and separators	20200302
EP-3842470-A1	Polyamide moulding compositions for hypochlorite resistant applications	20191223
EP-3842496-A1	Polyamide moulding compositions for hypochlorite resistant applications	20191223
US-2021187361-A1	Golf ball	20191223
US-2021189124-A1	Polyamide molding compounds for hypochlorite-resistant applications	20191223

PMID	Publication Date	Title	Journal
22945794	20121021	Incorporation of spin-5/2 chain into 2D network with conformational pure e,a-cis-cyclohexane-1,4-dicarboxylato linker	Dalton transactions (Cambridge, England : 2003)
21422616	20110401	Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature	Acta crystallographica. Section B, Structural science
21368415	20110301	Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules	Acta crystallographica. Section C, Crystal structure communications
21522256	20110212	Bis(μ-cyclo-hexane-1,4-dicarboxyl-ato)bis-{aqua-[1-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)naphthalen-2-ol]cadmium} monohydrate	Acta crystallographica. Section E, Structure reports online
20826823	20101112	The N domain of human angiotensin-I-converting enzyme: the role of N-glycosylation and the crystal structure in complex with an N domain-specific phosphinic inhibitor, RXP407	The Journal of biological chemistry

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.07355886
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	172.07355886
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5