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Hexahydrophthalic anhydride(CAS No. 85-42-7)

Hexahydrophthalic anhydride C8H10O3 (cas 85-42-7) Molecular Structure

85-42-7 Structure

Identification and Related Records

【Name】
Hexahydrophthalic anhydride
【CAS Registry number】
85-42-7
【Synonyms】
1,2-Cyclohexanedicarboxylic anhydride
HHPA
cyclohexanedicarboxylic anhydridel
1,2-cyclohexane- dicarboxylic anhydride, mixture of cis and trans
【EINECS(EC#)】
201-604-9
【Molecular Formula】
C8H10O3 (Products with the same molecular formula)
【Molecular Weight】
154.16
【Inchi】
InChI=1/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2
【InChIKey】
MUTGBJKUEZFXGO-UHFFFAOYSA-N
【Canonical SMILES】
C1CCC2C(C1)C(=O)OC2=O
【MOL File】
85-42-7.mol

Chemical and Physical Properties

【Appearance】
Light Yellow Crystalline Powder or Liquid
【Density】
1.18
【Melting Point】
32-34℃
【Boiling Point】
145℃ (18 mmHg)
【Refractive Index】
1.536
【Flash Point】
143℃
【Water】
Decomposes AUTOIGNITION
【Solubilities】
Decomposes AUTOIGNITION
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.
【Computed Properties】
Molecular Weight:154.1632 [g/mol]
Molecular Formula:C8H10O3
XLogP3-AA:1.2
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:0
Tautomer Count:3
Exact Mass:154.062994
MonoIsotopic Mass:154.062994
Topological Polar Surface Area:43.4
Heavy Atom Count:11
Formal Charge:0
Complexity:187
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:3

Safety and Handling

【Hazard Codes】
Xn:Harmful;
【Risk Statements】
R41;R42/43
【Safety Statements 】
S23;S24;S26;S37/39
【Safety】

Hazard Codes: HarmfulXn
Risk Statements: 41-42/43 
R41: Risk of serious damage to the eyes
R42/43: May cause sensitization by inhalation and skin contact
Safety Statements: 23-24-26-37/39 
S23: Do not breathe vapour
S24: Avoid contact with skin
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S37/39: Wear suitable gloves and eye/face protection
RIDADR: 3335
WGK Germany: 1

【Sensitive】
Moisture Sensitive
【Transport】
220kgs
【Specification】

 1,3-Isobenzofurandione, hexahydro- (CAS NO.85-42-7) is also called as 1,2-Cyclohexanedicarboxylic acid anhydride ; Araldite HT 907 ; EINECS 201-604-9 ; HHPA ; Hexahydrophthalic acid anhydride ; Hexahydrophthalic anhydride ; Lekutherm Hardener H ; NSC 8622 ; NT 907 ; Cyclohexane-1,2-dicarboxylic anhydride ; 1,2-Cyclohexanedicarboxylic anhydride .

Use and Manufacturing

【Usage】
Induces experimental asthma in immunized guinea pigs.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Agents causing the narrowing of the lumen of a bronchus or bronchiole.

Supplier Location

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