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1116-54-7

1116-54-7 structure
1116-54-7 structure
Name N,N-bis(2-hydroxyethyl)nitrous amide
Synonyms EINECS 214-237-4
Nitrosoimino diethanol
MFCD00015522
N-NITROSODIETHANOLAMINE
2,2'-(Nitrosoimino)diethanol
N,N-Diethanolnitrosamine
Nitrosodiethanolamine
Ethanol,2,2'-nitrosiminodi
Di-(2-hydroxyethyl)nitrosamine
Ethanol, 2,2'-(nitrosoimino)bis-
Diethanolnitrosamine
Diethanolnitrosoamine
N-Nitrosoaminodiethanol
Ndela
Density 1.3±0.1 g/cm3
Boiling Point 375.9±27.0 °C at 760 mmHg
Molecular Formula C4H10N2O3
Molecular Weight 134.134
Flash Point 181.1±23.7 °C
Exact Mass 134.069138
PSA 73.13000
LogP -1.89
Vapour Pressure 0.0±1.9 mmHg at 25°C
Index of Refraction 1.499
Storage condition 2-8°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KL9550000
CHEMICAL NAME :
Ethanol, N-nitrosoiminodi-
CAS REGISTRY NUMBER :
1116-54-7
BEILSTEIN REFERENCE NO. :
1762620
LAST UPDATED :
199710
DATA ITEMS CITED :
42
MOLECULAR FORMULA :
C4-H10-N2-O3
MOLECULAR WEIGHT :
134.16
WISWESSER LINE NOTATION :
Q2NNO&&2Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
11 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
855 mg/kg/2Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Liver - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
295 mg/kg/10W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
21600 mg/kg/36W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
6080 mg/kg/27W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
21600 mg/kg/45W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
7200 mg/kg/27W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 gm/kg/50W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
12 gm/kg/75W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3450 mg/kg/2Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8 gm/kg/50W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
10500 mg/kg/42W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
100 gm/kg/1Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
17920 mg/kg/27W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
15 gm/kg/5W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1202 mg/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Liver - tumors
TYPE OF TEST :
Specific locus test
TYPE OF TEST :
Micronucleus test
TYPE OF TEST :
Morphological transformation
TYPE OF TEST :
DNA damage

MUTATION DATA

TYPE OF TEST :
Host-mediated assay
TEST SYSTEM :
Rodent - mouse Bacteria - Escherichia coli
DOSE/DURATION :
450 umol/kg
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 2,909,1981 *** 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: 17,77,1978 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: 17,77,1978 IARC Cancer Review:Group 2B IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-FRANCE;Carcinogen JAN 1993 OEL-GERMANY;Carcinogen JAN 1993 OEL-SWITZERLAND;Carcinogen JAN 1993
Symbol GHS02 GHS08
GHS02, GHS08
Signal Word Danger
Hazard Statements H225-H350
Precautionary Statements P201-P210-P308 + P313
Hazard Codes T
Risk Phrases R45:May cause cancer.
Safety Phrases S53-S45
RIDADR UN 1993 3/PG 2
WGK Germany 1
RTECS KL9550000
Packaging Group II
Hazard Class 3.1
HS Code 2928000090
111-42-2 structure

111-42-2

~98%

1116-54-7 structure

1116-54-7

Literature: Zolfigol, Mohammad Ali; Bamoniri, Abdolhamid Synlett, 2002 , # 10 p. 1621 - 1624
102699-37-6 structure

102699-37-6

~%

1116-54-7 structure

1116-54-7

102699-41-2 structure

102699-41-2

Literature: Journal of Organic Chemistry, , vol. 51, # 14 p. 2687 - 2694
102699-34-3 structure

102699-34-3

~%

1116-54-7 structure

1116-54-7

80324-65-8 structure

80324-65-8

Literature: Journal of Organic Chemistry, , vol. 51, # 14 p. 2687 - 2694
102-71-6 structure

102-71-6

~59%

1116-54-7 structure

1116-54-7

Literature: Zhang, Jie; Jiang, Jiewen; Li, Yuling; Wan, Xiaobing Journal of Organic Chemistry, 2013 , vol. 78, # 22 p. 11366 - 11372
563-70-2 structure

563-70-2

111-42-2 structure

111-42-2

~%

50-00-0 structure

50-00-0

1116-54-7 structure

1116-54-7

Literature: Journal of the Chemical Society, Chemical Communications, , # 22 p. 1598 - 1599
134469-02-6 structure

134469-02-6

111-42-2 structure

111-42-2

~%

1116-54-7 structure

1116-54-7

Literature: Toxicology, , vol. 163, # 2-3 p. 127 - 136
56577-02-7 structure

56577-02-7

111-42-2 structure

111-42-2

~%

1116-54-7 structure

1116-54-7

Literature: Toxicology, , vol. 163, # 2-3 p. 127 - 136
57564-91-7 structure

57564-91-7

111-42-2 structure

111-42-2

~%

1116-54-7 structure

1116-54-7

Literature: Toxicology, , vol. 163, # 2-3 p. 127 - 136
HS Code 2928000090
Summary 2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%
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