Introduction：Basic information about CAS 121-91-5|Isophthalic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isophthalic acid |
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| CAS Number | 121-91-5 | Molecular Weight | 166.131 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 412.3±28.0 °C at 760 mmHg |
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| Molecular Formula | C8H6O4 | Melting Point | 341-343 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 217.3±20.5 °C |
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Names
| Name | isophthalic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 412.3±28.0 °C at 760 mmHg |
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| Melting Point | 341-343 °C(lit.) |
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| Molecular Formula | C8H6O4 |
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| Molecular Weight | 166.131 |
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| Flash Point | 217.3±20.5 °C |
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| Exact Mass | 166.026611 |
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| PSA | 74.60000 |
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| LogP | 1.66 |
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| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
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| Index of Refraction | 1.618 |
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| InChIKey | QQVIHTHCMHWDBS-UHFFFAOYSA-N |
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| SMILES | O=C(O)c1cccc(C(=O)O)c1 |
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| Stability | Stable. Incompatible with strong oxidizing agents, strong bases. |
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| Water Solubility | 0.01 g/100 mL (25 ºC) |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NT2007000
- CHEMICAL NAME :
- Isophthalic acid
- CAS REGISTRY NUMBER :
- 121-91-5
- BEILSTEIN REFERENCE NO. :
- 1909332
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C8-H6-O4
- MOLECULAR WEIGHT :
- 166.14
- WISWESSER LINE NOTATION :
- QVR CVQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,317,1986 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 10400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,317,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4200 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - excitement Nutritional and Gross Metabolic - body temperature decrease
- REFERENCE :
- COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. (Paris, France) V.1-261, 1835-1965. For publisher information, see CRASEV. Volume(issue)/page/year: 246,851,1958 *** REVIEWS *** TOXICOLOGY REVIEW BPCT** Progress Report from the Environmental Protection Agency to NIOSH on Benzenepolycarboxylates, 1974 Volume(issue)/page/year: -,183,1974 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.2 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 82897 No. of Facilities: 3665 (estimated) No. of Industries: 67 No. of Occupations: 68 No. of Employees: 55161 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 82897 No. of Facilities: 8709 (estimated) No. of Industries: 59 No. of Occupations: 49 No. of Employees: 117411 (estimated) No. of Female Employees: 17858 (estimated)
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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| Hazard Codes | Xi:Irritant |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S24/25-S36-S26 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 2 |
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| RTECS | NT2007000 |
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| HS Code | 29173980 |
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Customs
| HS Code | 2917391000 |
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| Summary | 2917391000 isophthalic acid。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。Lowest tariff:6.5%。General tariff:30.0% |
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Synonyms
| 5-CARBOXAMINODOTRYPTAMINE |
| 5-CARBOXAMIDOTRYPTAMINE HEMIETHANOLATE MALEATE SALT |
| Isophthalic acid |
| iso-phthalic acid |
| benzene-1,3-dicarboxylic acid |
| MFCD00002516 |
| 1,3-Benzenedicarboxylic acid |
| EINECS 204-506-4 |
| 5-carboxamidotrypamine |
| 5-Carboxamidotryptamine |
| 2-Carboxyamidotryptamine |
| 5-carboxybenzoic acid |
| isophthalic_acid |
| 5-CT |
| 5-Carboxamide tryptamine |
| isophtalic acid |
| 5-Carboxyamidotryptamine |
| 1,3-benzene dicarboxylic acid |
| m-phthalic acid |
| Benzen-1,3-Dicarboxylic acid |
| hydrogen isophthalate |
| 5-CAT |
