CAS 1200-88-0 5-Norbornene-2,3-dicarboxylic acid (HCID 97965)

Names & identifiers

Preferred name: 5-Norbornene-2,3-dicarboxylic acid
IUPAC: bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
English name: 5-Norbornene-2,3-dicarboxylic acid
Molecular formula: C9H10O4
Molecular weight: 182.17

Names & synonyms

Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid3813-52-35-Norbornene-2,3-dicarboxylic acid51MWF38CQGEINECS 223-301-08,9,10-Trinorborn-5-ene-2,3-dicarboxylic acidNSC 62668NSC-62668bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acidRefChem:537474cis5Norbomeneendo2.3dicarboxylic acid3,6-ENDOMETHYLENEPHTHALIC ACID, TETRAHYDRO-

Show more names

cis-5-Norbornene-endo-2,3-dicarboxylic acid 98%(2R,3S)-Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acidNadic acid5-Norbornene-23-dicarboxylic acidCIS,ENDO-BICYCLO[2.2.1]-5-5-NORBORENE-2,3-DICARBOXYLICACID5-Norbornene-2,3-dicarboxylicaci

BICYCLO(2.2.1)HEPT-2-ENE-5,6-DICARBOXYLIC ACID3,6-ENDOMETHYLENE-4-CYCLOHEXENE-1,2-DICARBOXYLIC ACID1,2-BENZENEDICARBOXYLIC ACID, 1,2,3,6-TETRAHYDRO-3,6-ENDO-METHYLENE-MFCD00152680AKOS000365644UNII-51MWF38CQGBicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacidNSC-120498

Database identifiers

CAS: 1200-88-0、3813-52-3、3853-88-1
PubChem CID: 97965
DTXSID: DTXSID80871593
ChEMBL: CHEMBL8162
EC Number: 223-301-0
Nikkaji: J217.698J

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 266

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Organic Acids

Physical DescriptionWhite powder; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 175 °C · 175 °C (dec.)(lit.)
Boiling point: 275.56 °C · 275.56°C (rough estimate)
Density: 1.2481 · 1.2481 (rough estimate)
refractive index: 1.4345 · 1.4345 (estimate)
storage temp.: Sealed in dry,Room Temperature
pka: 3.91 · 3.91±0.40(Predicted)
form: solid
color: White
InChI: 1S/C9H10O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H,10,11)(H,12,13)/t4-,5+,6-,7+
InChIKey: NIDNOXCRFUCAKQ-UMRXKNAASA-N
SMILES: OC(=O)[C@@H]1[C@H]2C[C@H](C=C2)[C@@H]1C(O)=O
FDA UNII: 51 MWF38CQG · 51MWF38CQG
UNSPSC Code: 12161600 · 12161600
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HS Code: 2917399590 · 2917399590
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.

Hazard information

Hazards SummaryA skin and strong eye irritant; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2917399590
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications

Uses5-Norbornene-2,3-dicarboxylic acid is used to prepare cyclic olefin copolymers and is also an important raw material for the synthesis of the antidepressant drug lurasidone.