Introduction：Basic information about CAS 90-16-4|1,2,3-benzotriazin-4(3h)-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,2,3-benzotriazin-4(3h)-one |
|---|
| CAS Number | 90-16-4 | Molecular Weight | 147.13400 |
|---|
| Density | 1.47 g/cm3 | Boiling Point | 282.4ºC at 760 mmHg |
|---|
| Molecular Formula | C7H5N3O | Melting Point | 216-218 °C(lit.) |
|---|
| MSDS | / | Flash Point | 124.6ºC |
|---|
Names
| Name | 3,4-Dihydro-4-oxo-1,2,3-benzotriazine |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.47 g/cm3 |
|---|
| Boiling Point | 282.4ºC at 760 mmHg |
|---|
| Melting Point | 216-218 °C(lit.) |
|---|
| Molecular Formula | C7H5N3O |
|---|
| Molecular Weight | 147.13400 |
|---|
| Flash Point | 124.6ºC |
|---|
| Exact Mass | 147.04300 |
|---|
| PSA | 58.64000 |
|---|
| LogP | 0.31810 |
|---|
| Index of Refraction | 1.73 |
|---|
| InChIKey | DMSSTTLDFWKBSX-UHFFFAOYSA-N |
|---|
| SMILES | O=c1[nH]nnc2ccccc12 |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DM0800000
- CHEMICAL NAME :
- 1,2,3-Benzotriazin-4(1H)-one
- CAS REGISTRY NUMBER :
- 90-16-4
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 12
- MOLECULAR FORMULA :
- C7-H5-N3-O
- MOLECULAR WEIGHT :
- 147.15
- WISWESSER LINE NOTATION :
- T66 BMNNVJ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 595 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3794726
- TYPE OF TEST :
- LC - Lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >2 gm/kg/4H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555463
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 222 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555463
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 440 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3794726
- TYPE OF TEST :
- LC - Lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >2 gm/kg/4H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555463
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
- TYPE OF TEST :
- LC - Lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >2575 mg/kg/4H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555463
- TYPE OF TEST :
- LC - Lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - hamster
- DOSE/DURATION :
- >2575 mg/kg/4H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555463 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 3480 mg/kg
- SEX/DURATION :
- male 8 day(s) pre-mating female 21 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
- REFERENCE :
- MPHEAE Medicina et Pharmacologia Experimentalis. (Basel, Switzerland) V.12-17, 1965-67. For publisher information, see PHMGBN. Volume(issue)/page/year: 15,7,1966
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 2400 mg/kg
- SEX/DURATION :
- male 15 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)
- REFERENCE :
- MPHEAE Medicina et Pharmacologia Experimentalis. (Basel, Switzerland) V.12-17, 1965-67. For publisher information, see PHMGBN. Volume(issue)/page/year: 15,7,1966
|
Safety Information
| Hazard Codes | Xi: Irritant; |
|---|
| Risk Phrases | R22 |
|---|
| Safety Phrases | S26-S37/39 |
|---|
| WGK Germany | 3 |
|---|
| RTECS | DM0800000 |
|---|
Synonyms
| MFCD00052387 |
| EINECS 201-971-5 |
| 1H-1,2,3-benzotriazin-4-one |
