Introduction：Basic information about CAS 628-87-5|2406 i.s., including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2406 i.s. |
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| CAS Number | 628-87-5 | Molecular Weight | 95.103 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 337.5±17.0 °C at 760 mmHg |
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| Molecular Formula | C4H5N3 | Melting Point | 69-71 °C(lit.) |
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| MSDS | / | Flash Point | 157.9±20.9 °C |
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Names
| Name | iminodiacetonitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 337.5±17.0 °C at 760 mmHg |
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| Melting Point | 69-71 °C(lit.) |
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| Molecular Formula | C4H5N3 |
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| Molecular Weight | 95.103 |
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| Flash Point | 157.9±20.9 °C |
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| Exact Mass | 95.048347 |
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| PSA | 59.61000 |
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| LogP | -1.08 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.445 |
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| InChIKey | BSRDNMMLQYNQQD-UHFFFAOYSA-N |
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| SMILES | N#CCNCC#N |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AM0650000
- CHEMICAL NAME :
- Acetonitrile, iminodi-
- CAS REGISTRY NUMBER :
- 628-87-5
- BEILSTEIN REFERENCE NO. :
- 0773803
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C4-H5-N3
- MOLECULAR WEIGHT :
- 95.12
- WISWESSER LINE NOTATION :
- NC1M1CN
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 710 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - tremor Gastrointestinal - other changes
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0536765
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 17,753,1962
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1500 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Gastrointestinal - other changes
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0536765
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Safety Information
| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R20/21/22 |
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| Safety Phrases | S26-S37/39-S36/37 |
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| WGK Germany | 3 |
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| RTECS | AM0650000 |
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| HS Code | 2926909090 |
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Customs
| HS Code | 2926909090 |
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| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| EINECS 211-058-3 |
| Acetonitrile, 2,2'-iminobis- |
| MFCD00001887 |
| 2406 i.s. |
| Iminodiacetonitrile |
| 2-(cyanomethylamino)acetonitrile |
| 2,2'-Iminodiacetonitrile |
