2,3-Diaminotoluene - CAS 2687-25-4

Catalog:	BB019386
Product Name:	2,3-Diaminotoluene
CAS:	2687-25-4
Synonyms:	3-methylbenzene-1,2-diamine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3-methylbenzene-1,2-diamine
Description:	Inducer of CYP1A activity, and possible mutagenic carcinogen.
Molecular Weight:	122.17
Molecular Formula:	C7H10N2
Canonical SMILES:	CC1=C(C(=CC=C1)N)N
InChI:	InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3
InChI Key:	AXNUJYHFQHQZBE-UHFFFAOYSA-N
Boiling Point:	255 ℃ at 760 mmHg
Melting Point:	59-65 ℃ (lit.)
Purity:	95 %
Density:	1.107 g/cm 3
Appearance:	Brown powder
Decomposition:	When heated to decomposition it emits toxic vapors of /nitrogen oxides
MDL:	MFCD00011589
LogP:	2.32180
Vapor Pressure:	0.000553 [mmHg]

Publication Number	Title	Priority Date
CN-113480435-A	Method for aminolysis of tar residues and recovery of organic resources	20210806
CN-113416028-A	Production process of waterproof aerogel thermal insulation material	20210715
CN-113480487-A	Benzotriazole-containing fluorescent compound, and preparation method and application thereof	20210616
CN-113244788-A	Synthetic method and application of polyimide gas separation membrane material	20210525
CN-113145112-A	Preparation method of Pd-Pt/C catalyst for selective hydrogenation of dinitrotoluene	20210430

PMID	Publication Date	Title	Journal
21453781	20110714	Micronuclei, hemoglobin adducts and respiratory tract irritation in mice after inhalation of toluene diisocyanate (TDI) and 4,4'-methylenediphenyl diisocyanate (MDI)	Mutation research
21252056	20110301	Biological monitoring for isocyanates	The Annals of occupational hygiene
20032816	20100201	The GSTP1 Ile105 Val polymorphism modifies the metabolism of toluene di-isocyanate	Pharmacogenetics and genomics
19447850	20090701	A survey of occupational exposure to 4,4'-methylene-bis (2-chloroaniline) (MbOCA) in the UK	The Annals of occupational hygiene
19332649	20090601	Is toluene diamine a sensitizer and is there cross-reactivity between toluene diamine and toluene diisocyanate?	Toxicological sciences : an official journal of the Society of Toxicology

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Related Functional Groups

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]
1-Methyl-1-phenylhydrazine
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[5071-96-5]
3-Methoxybenzylamine

GHS Hazard Statement:	H301 (83.88%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P201, P202, P260, P261, P264, P270, P271, P272, P273, P280, P281, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P312, P314, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	92.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.084398327
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	122.084398327
Rotatable Bond Count:	0
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9