Introduction：Basic information about CAS 404-72-8|m-Fluorophenyl isothiocyanate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | m-Fluorophenyl isothiocyanate |
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| CAS Number | 404-72-8 | Molecular Weight | 153.177 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 227.8±13.0 °C at 760 mmHg |
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| Molecular Formula | C7H4FNS | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 85.0±0.0 °C |
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| Symbol |
GHS05, GHS07 | Signal Word | Danger |
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Names
| Name | 3-fluorophenyl isothiocyanate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 227.8±13.0 °C at 760 mmHg |
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| Molecular Formula | C7H4FNS |
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| Molecular Weight | 153.177 |
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| Flash Point | 85.0±0.0 °C |
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| Exact Mass | 153.004852 |
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| PSA | 44.45000 |
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| LogP | 3.41 |
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| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
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| Index of Refraction | 1.553 |
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| InChIKey | HDBACITVPQEAGG-UHFFFAOYSA-N |
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| SMILES | Fc1cccc(N=C=S)c1 |
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| Storage condition | 0-6°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NX8750000
- CHEMICAL NAME :
- Isothiocyanic acid, m-fluorophenyl ester
- CAS REGISTRY NUMBER :
- 404-72-8
- BEILSTEIN REFERENCE NO. :
- 2081172
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C7-H4-F-N-S
- MOLECULAR WEIGHT :
- 153.18
- WISWESSER LINE NOTATION :
- SCNR CF
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00949
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Safety Information
| Symbol |
GHS05, GHS07 |
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| Signal Word | Danger |
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| Hazard Statements | H302-H312-H314-H332-H335 |
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| Precautionary Statements | P261-P280-P305 + P351 + P338-P310 |
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| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | C: Corrosive;T: Toxic;Xi: Irritant;Xn: Harmful; |
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| Risk Phrases | 20/21/22-34-36/37-36/37/38 |
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| Safety Phrases | S26-S27-S36/37/39-S45 |
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| RIDADR | UN 3265 8/PG 2 |
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| WGK Germany | 3 |
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| RTECS | NX8750000 |
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| Packaging Group | III |
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| Hazard Class | 8 |
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| HS Code | 2930909090 |
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Customs
| HS Code | 2930909090 |
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| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| Isothiocyanic Acid 3-Fluorophenyl Ester |
| 3-Fluorophenyl Isothiocyanate |
| MFCD00004804 |
| Isothiocyanic acid, m-fluorophenyl ester |
| 3-Fluorobenzene isothiocyanate |
| m-Fluorophenyl isothiocyanate |
| Benzene, 1-fluoro-3-isothiocyanato- |
| 1-Fluoro-3-isothiocyanatobenzene |
| EINECS 206-967-7 |
