Ditolylguanidine

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Names

[ CAS No. ]:
97-39-2

[ Name ]:
Ditolylguanidine

[Synonym ]:
MFCD00008513
1,3-Bis(o-tolyl)guanidine
Guanidine, N,N''-bis(2-methylphenyl)-
N,N'-Di-o-tolylguanidine
EINECS 202-577-6
N,N'-Bis(2-methylphenyl)guanidine
Di-o-tolylguanidine
Guanidine, 1,3-di-o-tolyl-
1R BMYUM&MR B1
1,2-Bis(2-methylphenyl)guanidine

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
396.1±45.0 °C at 760 mmHg

[ Melting Point ]:
176-178 °C(lit.)

[ Molecular Formula ]:
C15H17N3

[ Molecular Weight ]:
239.32

[ Flash Point ]:
193.3±28.7 °C

[ Exact Mass ]:
239.142242

[ PSA ]:
47.91000

[ LogP ]:
3.77

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.585

[ Storage condition ]:
Store at RT

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MF1400000
CHEMICAL NAME :
Guanidine, 1,3-di-o-tolyl-
CAS REGISTRY NUMBER :
97-39-2
BEILSTEIN REFERENCE NO. :
2653884
LAST UPDATED :
199701
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C15-H17-N3
MOLECULAR WEIGHT :
239.35
WISWESSER LINE NOTATION :
1R BMYUM&MR B1

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 :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 90,260,1947
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 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 :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
80 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IPSTB3 International Polymer Science and Technology. (Rapra Technology Ltd., Shawbury, Shrewsbury, Shropshire SY4 4NR, UK) Volume(issue)/page/year: 3,93,1976
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
120 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
JIDHAN Journal of Industrial Hygiene. (Cambridge, MA) V.1-17, 1919-35. For publisher information, see AEHLAU. Volume(issue)/page/year: 13,87,1931 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81800 No. of Facilities: 157 (estimated) No. of Industries: 5 No. of Occupations: 23 No. of Employees: 3729 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81800 No. of Facilities: 492 (estimated) No. of Industries: 7 No. of Occupations: 18 No. of Employees: 22254 (estimated) No. of Female Employees: 4255 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
UN 2811

[ WGK Germany ]:
3

[ RTECS ]:
MF1400000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2925290090

Synthetic Route

Precursor & DownStream

Precursor

  • 4-Iodotoluene
  • Guanidine nitrate
  • carbonic acid; guanidine
  • guanidine
  • 2-Bromotoluene
  • N,N-di-o-tolylthiourea
  • o-Toluidine
  • Cyanogen chloride
  • 1,3-di(o-tolyl)thiourea
  • Ammonia

DownStream

  • 3H-1,2-Dithiole-3-thione,4-(4-methylphenyl)-
  • 4-(4-(tert-butyl)phenyl)-3H-1,2-dithiole-3-thione
  • hydrogen sulfide

Customs

[ HS Code ]: 2925290090

[ Summary ]:
2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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Related Compounds

  • N,N'-Ditolylguanidine
  • 2-Cyanobenzo[d]oxazole-5-carboxylic acid
  • 3-(azetidin-3-yl)-1-methyl-1H-indole
  • 2-(2-Chloro-6-methoxyphenyl)propanoic acid
  • 5-Methylthiazole-2-carboximidamide
  • 2-Amino-2-(4-chlorophenyl)propanoicacidhcl
  • 2-Fluoro-N-hydroxynicotinimidamide
  • 3-[2-[4-(2-Pyridinyl)-1-piperidinyl]-4-pyridinyl]-1H-indazole
  • 1-[4-(1H-indazol-3-yl)-2-pyridinyl]-4-(2-pyridinyl)-4-piperidinol
  • (4-Fluorocyclohexyl)methanesulfonyl chloride
  • (2-Fluorocyclohexyl)methanesulfonyl chloride
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