2,3-다이아미노톨루엔

2,3-다이아미노톨루엔 · 3-메틸-1,2-벤젠디아민 · 1,2-다이아미노-3-메틸벤젠 · 2,3-디아미노톨루엔 · 2,3-톨루엔다이아민 · 2,3-톨릴렌다이아민 · 2-아미노-3-메틸아닐린 · 3-메틸-1,2-벤젠다이아민

https://huagongshe.com/ko/chemical/17593

식별자 및 물리적 특성

CAS No.	2687-25-4
분자식	C7H10N2
평균 분자량	122.17 g/mol
단동위원소 질량	122.08439832 g/mol
SMILES	Cc1cccc(N)c1N
InChIKey	AXNUJYHFQHQZBE-UHFFFAOYSA-N
PubChem CID	17593
ChEMBL	CHEMBL3183504
EC No.	220-248-5
DTXSID	DTXSID4027494
현지명	2,3-다이아미노톨루엔

화학 및 물리적 성질

XLogP	0.9
극성 표면적	52
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	9
형식 전하	0
복잡도	92.9
물질 분류	Nitrogen Compounds -> Amines, Aromatic
Color/Form	Crystals
용해도	Very soluble in acetone, benzene, ethanol디클로로메탄 에 용해됨
끓는 점	255 °C225°C
Decomposition	When heated to decomposition it emits toxic vapors of /nitrogen oxides/.
녹는점	63.5 °C59-65 °C (lit.)
증기압	0.000553 [mmHg]1.20 kPa at 150 °C /0.000553 mm Hg at 25 °C/ (extrapolated)
Physical Description	LiquidCBIOther Solid[HSDB] Brown powder[MSDSonline]
밀도	1.0343 (rough estimate)
굴절률	1.5103 (estimate)
인화점	225°C
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
pKa(산도 계수)	4.28±0.10(Predicted)
물리적 상태	분말 또는 결정
색상	갈색에서 진한 갈색까지
BRN	907184
헨리 상수	1.0×104 mol/(m3Pa) at 25℃, HSDB (2015)
InChI	InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3
InChIKey	AXNUJYHFQHQZBE-UHFFFAOYSA-N
SMILES	C1(N)=CC=CC(C)=C1N
EPA	1,2-Benzenediamine, 3-methyl- (2687-25-4)

화학적 성질

brown powder

안전 및 규제

GHS 분류	DangerH301 (45.5%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 264 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]
규제 정보	Chemical: 1,2-Benzenediamine, 3-methyl-1,2-Benzenediamine, 3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenediamine, 3-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Cease Manufacture Update: 06-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24442
기타 안전 정보	IMAP assessments - Ortho-toluenediamines: Human health tier II assessment
유해성 요약	External application to rabbit eyes scored 7 on a scale of 1-10 (10 being most severe) for degree of injury (2,3/3,4 mixture)Emergency treatment: Methemoglobinemia[HSDB] Commercial mixture (2,3/3,4-TDA[40/60]): Oral LD50 (rat) = 660 mg/kgDermal LD50 (rabbit) => 5750 mg/kgA mild skin and eye irritantToxic to reproduction and development, likely to be genotoxic, and possesses carcinogenic potential[OECD SIDS] Ortho-TDA (mixture of 3,4 [50%], 2,3 [45%], and 2,4 [1%] TDA isomers): Causes male reproductive toxicity (decreased body weights and number of spermatids/g testes) and couple/developmental toxicity (decreased number of implantation sites and delivered pups and increased post-implantation loss and pup mortality) in gavage study of rats at 250 mg/kg/day[EPA TSCA] See 2,4-Diaminotoluene.The major hazards encountered in the use and handling of 2,3-diaminotoluene stem from its toxicologic properties. Toxic by inhalation and ingestion, exposure to this crystalline substance may occur from its use as a chemical intermediate for corrosion inhibitors, and antioxidants (eg, benzimidazolethiol derivatives). In activities and situations where over-exposure may occur, wear protective clothing and a self-contained breathing apparatus. If contact should occur, irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes, and wash expsosed skin thoroughly with soap and water. Remove contaminated clothing and shoes at the site. While 2,3-diaminotoluene does not ignite easily, it may burn with the production of irritating or poisonous gases. Runoff from fire control water may cause pollution. For fires involving this substance, extinguish with dry chemical, CO2, Halon, water spray, fog, or standard foam. Small spills of 2,3-diaminotoluene should be placed in a clean, dry, covered container (if in solution, take up with sand or other noncombustible absorbent) for later disposal. For large spills of 2,3-diaminotoluene solution, dike far ahead of the spill for later disposal.

용도

Inducer of CYP1A activity, and possible mutagenic carcinogen.

일반 설명

The antitumour activity of Pd(II) and Pt(II) new complexes with 2,3-diaminotoluene was studied. 2,3-Diaminotoluene induced CYP1A activity.