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5522-43-0

5522-43-0 structure
5522-43-0 structure

Name 1-Nitropyrene
Synonyms 1-nitro-pyrene
Pyrene,1-nitro
Nitropyrene,Mono-,Di-,Tri-Tetra,isomers
3-Nitropyrene
1-Nitropyrene
NITROPYRENE
1-nitropyrne
EINECS 226-868-2
MFCD00004138
Pyrene, 1-nitro-
Density 1.4±0.1 g/cm3
Boiling Point 445.5±14.0 °C at 760 mmHg
Melting Point 153-155 °C(lit.)
Molecular Formula C16H9NO2
Molecular Weight 247.248
Flash Point 223.5±12.9 °C
Exact Mass 247.063324
PSA 45.82000
LogP 4.90
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.871
Storage condition 2-8°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UR2480000
CHEMICAL NAME :
Pyrene, 1-nitro-
CAS REGISTRY NUMBER :
5522-43-0
BEILSTEIN REFERENCE NO. :
1882811
LAST UPDATED :
199712
DATA ITEMS CITED :
65
MOLECULAR FORMULA :
C16-H9-N-O2
MOLECULAR WEIGHT :
247.26
WISWESSER LINE NOTATION :
L666 B6 2AB PJ DNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 ug/m3/6H/13W-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes Liver - changes in liver weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
396 mg/kg/16W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
20 mg/kg/4W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
160 mg/kg/10W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Tumorigenic - tumors at site of application
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1575 mg/kg/6W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
198 mg/kg/8W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
99 mg/kg/8W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1780 mg/kg
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
160 mg/kg/10W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Endocrine - thyroid tumors Reproductive - Tumorigenic effects - testicular tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
95566 ug/kg/4W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
91857 ug/kg/4W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
29671 ug/kg/4W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
495 mg/kg/8W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
Morphological transformation
TYPE OF TEST :
DNA adduct
TYPE OF TEST :
Sister chromatid exchange
TYPE OF TEST :
DNA damage

MUTATION DATA

TYPE OF TEST :
Unscheduled DNA synthesis
TEST SYSTEM :
Rodent - rabbit Lung
DOSE/DURATION :
2500 ng/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 175,259,1986 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 46,321,1989 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 46,321,1989 IARC Cancer Review:Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 46,321,1989
Symbol GHS08
GHS08
Signal Word Warning
Hazard Statements H351
Precautionary Statements P281
Personal Protective Equipment Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22;R40
Safety Phrases S22-S36/37/39-S45-S36/37
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS UR2480000
HS Code 2904209090

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Literature: Braken-van Leersum, A. M. van den; Tintel, C.; Zelfde, M. van't; Cornelisse, J.; Lugtenburg, J. Recueil des Travaux Chimiques des Pays-Bas, 1987 , vol. 106, # 4 p. 120 - 128

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5522-43-0 structure

5522-43-0

Literature: Journal of Organic Chemistry, , vol. 53, # 15 p. 3548 - 3553

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Detail
Literature: Chemical and Pharmaceutical Bulletin, , vol. 32, # 5 p. 1992 - 1994

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Detail
Literature: Chemical and Pharmaceutical Bulletin, , vol. 32, # 5 p. 1992 - 1994

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Detail
Literature: Chemical and Pharmaceutical Bulletin, , vol. 32, # 5 p. 1992 - 1994

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Detail
Literature: Chemical and Pharmaceutical Bulletin, , vol. 32, # 5 p. 1992 - 1994

~37%

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Detail
Literature: Russian Journal of Organic Chemistry, , vol. 34, # 8 p. 1165 - 1171

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5522-43-0

Literature: Justus Liebigs Annalen der Chemie, , vol. 531, p. 1,33, 43, 46, 107, 121, 123

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5522-43-0 structure

5522-43-0

Literature: Kogyo Kagaku Zasshi, , vol. 55, p. 623 Chem.Abstr., , p. 2401
HS Code 2904209090
Summary 2904209090 derivatives containing only nitro or only nitroso groups。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%