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3,5- 디아 미노 톨루엔

3,5-Diaminotoluene

HCID 7951
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
108-71-4
표준 SMILES
Cc1cc(N)cc(N)c1
InChIKey
LVNDUJYMLJDECN-UHFFFAOYSA-N
분자식
C7H10N2
평균 분자량
122.17 g/mol
단동위원소 질량
122.08439833

이름 및 식별자

우선 이름
3,5-Diaminotoluene
IUPAC
5-methylbenzene-1,3-diamine
현지명
3,5- 디아 미노 톨루엔
영어명
toluene-3,5-diamine
분자식
C7H10N2
분자량
122.1677

이름 및 동의어

3,5-Diaminotoluene108-71-4TOLUENE-3,5-DIAMINE1,3-Benzenediamine, 5-methyl-3,5-tolylenediamine1,3-Diamino-5-methylbenzeneHSDB 62427J9L7YYO3EToluene, 3,5-diamino-tolueneEINECS 203-609-1DTXSID20515583,5-DIAMINOTOLUENE [HSDB]
이름 더 보기
3,5-디아미노톨루엔톨루엔-3,5-디아민5-methyl-3-benzenediamine5-Methyl-m-phenylenediamine5-Methyl-1,3-benzenediamine
Toluene3,5diamineToluene, 3,5diamino1,3Diamino5methylbenzeneRefChem:4866071,3Benzenediamine, 5methyl3,5TDADTXCID0030110203-609-1

데이터베이스 식별자

CAS
108-71-4、26764-44-3
PubChem CID
7951
DTXSID
DTXSID2051558
UNII
7J9L7YYO3E
EC Number
203-609-1
Nikkaji
J140.761I

물성

구조 계산 물성

XLogP
0.9
극성 표면적
52 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
9
형식 전하
0
복잡도
82.9

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Aromatic
SolubilityVERY SOL IN WATER; SOL IN ALC, ETHER
Boiling Point283-285 °C
Melting PointLESS THAN 0 °C
Vapor Pressure0.0037 [mmHg]

물리화학적 성질

녹는점
98.1 °C · 98.1°C
끓는 점
217.6 °C · 217.6°C (rough estimate)
밀도
1.0343 · 1.0343 (rough estimate)
굴절률
1.61 · 1.6100 (estimate)
용해도
클로로포름 (약간 용해됨), DMSO (약간 용해됨)
물리적 상태
기름
색상
아주 어두운 갈색
Henry's Law Constant
1.3 · 1.3×104 mol/(m3Pa) at 25℃, HSDB (2015)
EPA
1 · 1,3-Benzenediamine, 5-methyl- (108-71-4)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

유해성 정보

Regulatory InformationChemical: 1,3-Benzenediamine, 5-methyl-
Other Safety InformationIMAP assessments - 1,3-Benzenediamine, 5-methyl-: Human health tier I assessment
Hazards SummarySee 2,4-Diaminotoluene.
TSCA Requirements · 2건

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 1,3-Benzenediamine, 5-methyl is included on this list.

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble of the 51 FR 41329.

DOT Emergency Guidelines · 5건

/GUIDE 151: SUBSTANCES - TOXIC (NON-COMBUSTIBLE)/ Health: Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /2,4-Toluenediamine; 2,4-Toluylenediamine; 2,4-Toluylenediamine, solid; 2,4-Toluylenediamine, solution/

/GUIDE 151: SUBSTANCES - TOXIC (NON-COMBUSTIBLE)/ Fire or Explosion: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Containers may explode when heated. Runoff may pollute waterways. /2,4-Toluenediamine; 2,4-Toluylenediamine; 2,4-Toluylenediamine, solid; 2,4-Toluylenediamine, solution/

/GUIDE 151: SUBSTANCES - TOXIC (NON-COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at lease 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. /2,4-Toluenediamine; 2,4-Toluylenediamine; 2,4-Toluylenediamine, solid; 2,4-Toluylenediamine, solution/

/GUIDE 151: SUBSTANCES - TOXIC (NON-COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. /2,4-Toluenediamine; 2,4-Toluylenediamine; 2,4-Toluylenediamine, solid; 2,4-Toluylenediamine, solution/

For more DOT Emergency Guidelines (Complete) data for 3,5-DIAMINOTOLUENE (8 total), please visit the HSDB record page.

Shipping Name/ Number DOT/UN/NA/IMONA 1709; Toluenediamine

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: By analogy to similar aromatic amines, when toluene-3,5-diamine is released to soil it may undergo a covalent chemical bonding with humic materials which can result in its chemical alteration to a latent form and tight adsorption(1); when covalently bound in this latent form, leaching in soil systems is not generally expected to occur(1). This covalent bonding proceeds in two steps(1); a rapid and reversible bonding followed by a slower and much less reversible reaction(1). Leaching in soil may be possible prior to the occurrence of the slower bonding reaction. In the absence of covalent bonding, leaching may be possible based upon an estimated Koc of 1.34(2,SRC). A single biological screening study has indicated that toluene-3,5-diamine is resistant to biodegradation(3); however, insufficient data are available to assess the relative importance of biodegradation in soil(SRC).

AQUATIC FATE: By analogy to similar aromatic amines(1), toluene-3,5-diamine may undergo covalent bonding with humic materials in the water column and in sediment(1); partitioning from the water column to sediment and suspended material may therefore be an important transport mechanism. By analogy to the aromatic amine chemical class(2), toluene-3,5-diamine in the water column may be susceptible to photooxidation via hydroxyl and peroxy radicals. A single biological screening study has indicated that toluene-3,5-diamine is resistant to biodegradation(3); however, insufficient data are available to assess the relative importance of biodegradation in water. Aquatic hydrolysis, volatilization, and bioconcentration do not appear to be environmentally important(SRC).

ATMOSPHERIC FATE: Based upon an estimated vapor pressure of 0.00159 mm Hg at 25 °C(1), toluene-3,5-diamine is expected to exist primarily in the vapor-phase in the ambient atmosphere(2,SRC). It is degraded relatively rapidly in an average ambient atmosphere by reaction with photochemically produced hydroxyl radicals at an estimated half-life rate of about 1.6 hr(3,SRC).

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Soil Adsorption/Mobility · 1건

Aromatic amines (such as the toluidine isomers) have been observed to undergo rapid and reversible covalent bonding with humic materials in aqueous solution; the initial bonding reaction is followed by a slower and much less reversible reaction believed to represent the addition of the amine to quinoidal structures followed by oxidation of the product to give an amino-substituted quinone; these processes represent pathways by which aromatic amines may be converted to latent forms in the biosphere(1). In the absence of covalent bonding, a Koc value of approximately 1.34 can be estimated from toluene-3,5-diamine estimated log Kow of 0.337(2) using an appropriate regression-derived equation(3,SRC); this Koc values indicates very high soil mobility(4).

Human Toxicity Excerpts · 2건

Environmental and medical surveys were conducted ... to evaluate dinitrotoluene and toluenediamine exposures /of/ workers. ... Dinitrotoluene and toluenediamine concentrations ranged from 0.013-0.42 mg/cu m during the initial survey and from undetectable to 0.10 mg/cu m during the follow-up survey. ... Medical findings included a significant reduction in sperm count among exposed workers. A slight excess of miscarriages among the wives of exposed workers was found, but could not be conclusively related to the exposures. ...

... Toluenediamine used as a dye on the eyelashes is reported in one instance to have caused keratoconjunctivitis and blepharitis with opacities of the cornea which gradually cleared in the course of several weeks. /Toluenediamine/

Artificial Pollution Sources · 1건

Toluene-3,5-diamine is formed as a minor by-product during the industrial manufacture of other toluenediamine isomers, such as the 2,4- and 2,6-isomers(1); wastewater streams generated at sites of 2,4- and 2,6-toluenediamine manufacture contain toluenediamine isomers(2).

Environmental BiodegradationToluene-3,5-diamine was found to be resistant to microbial degradation (less than 30% theoretical BOD in two weeks of incubation) using the Japanese MITI protocol(1).
Environmental Bioconcentration · 1건

Based on an estimated log Kow of 0.337(1), the bioconcentration factor (BCF) for toluene-3,5-diamine can be estimated to be 1.06 from a recommended regression-derived equation(2,SRC). This BCF value is not indicative of significant bioconcentration in aquatic organisms(SRC).

Volatilization from Water/Soil · 1건

The Henry's Law constant for toluene-3,5-diamine can be estimated to be 7.43X10-10 atm-cu m/mole using a structure estimation method(1,SRC); this value of Henry's Law constant indicates that a compound is essentially non-volatile from environmental waters(2).

Non-Human Toxicity Excerpts · 2건

Certain diamines (eg, toluenediamine and diaminodiphenylmethane) have potent hepatotoxic effect in experimental animals ... . /Toluenediamines/

The toluenediamines appear not to be primary irritants, according to tests on rabbit eyes in which 0.02 M solutions of each of the isomers all at pH 6.5 were tested by dropping on rabbit eyes for ten minutes after mechanical removal of the corneal epithelium to permit penetration. The eyes healed and returned to normal within two to four days without evidence of chemical injury. /Toluenediamines/

Environmental Abiotic Degradation · 1건

The rate constant for the vapor-phase reaction of toluene-3,5-diamine with photochemically produced hydroxyl radicals has been estimated to be 2.4X10-10 cu cm/molecule-sec at 25 °C which corresponds to an atmospheric half-life of about 1.6 hr at an atmospheric concn of 5X10+5 hydroxyl radicals per cu cm(1,SRC). Aromatic amines are generally resistant to aqueous environmental hydrolysis(2); therefore, toluene-3,5-diamine is not expected to hydrolyze in water(SRC). As a class, aromatic amines react relatively rapidly in sunlit natural water via reaction with photochemically produced hydroxyl radicals and peroxy radicals(3); typical half-lives for hydroxyl radical and peroxy radical reaction are on the order of 19-30 sunlight hours(3); however, rate data specific to toluene-3,5-diamine were not located(SRC).

Probable Routes of Human Exposure · 1건

Toluene-3,5-diamine is formed as a minor by-product during the industrial manufacture of other toluenediamine isomers(1); occupational exposure to toluenediamines occurs through dermal contact and inhalation, with skin contact being the most likely route of exposure(2).

Environmental Fate/Exposure Summary · 1건

Toluene-3,5-diamine may be released to the environment in wastewater streams generated at sites of industrial 2,4- and 2,6-toluenediamine manufacture. If released to the atmosphere, toluene-3,5-diamine is expected to degrade relatively rapidly (estimated half-life of 1.6 hr) by reaction with photochemically produced hydroxyl radicals. If released to soil, toluene-3,5-diamine may undergo a covalent chemical bonding with humic materials which can result in its chemical alteration to a latent form and prevent leaching. In the absence of covalent bonding, leaching may be possible. If released to water, covalent bounding with humic materials in the water column and sediments may result in partitioning from the water column to sediments. By analogy to the aromatic amine chemical class, toluene-3,5-diamine in the water column may be susceptible to photooxidation via hydroxyl and peroxy radicals. A single biological screening study has indicated that toluene-3,5-diamine is resistant to biodegradation; however, insufficient data are available to assess the relative importance of biodegradation in soil or water. Occupational exposure to toluene-3,5-diamine may occur through dermal contact and inhalation, with skin contact being the most likely route of exposure. (SRC)

규제 정보

TSCA Requirements · 2건

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 1,3-Benzenediamine, 5-methyl is included on this list.

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble of the 51 FR 41329.

안전 데이터

tsca
TSCA listed
유해 물질 데이터
108-71-4(Hazardous Substances Data)

화학 및 산업

용도 및 제조

Uses · 3건

Produced as minor by-product in manufacture of other diaminotoluene isomers; Used as initiator for rigid urethane production and as reaction product with phosgene to yield toluene diisocyanate; Commercial mixture composed of all six diaminotoluene isomers; [HSDB]

Act as initiators for rigid urethane production.

React ... with phosgene to give toluene diisocyanate.

Formulations/PreparationsThe commercial synthetic mixture contains all six toluene diamine isomers.
General Manufacturing Information1,3-Benzenediamine, 5-methyl-: ACTIVE

상·하류 제품 정보

상류 원료

톨루엔-2,6-디아민2,3-디나이트로톨루엔3,4-디나이트로톨루엔2,5-디메틸톨루엔톨루엔-2,4-다이아민2,6-디니트로톨루엔2,4-디니트로톨루엔3,4-디아미노톨루엔o-에톡시톨루엔2,3-다이아미노톨루엔3,5-DibromotolueneLABOTEST-BB LT012900804-메틸페네톨3,5-디메틸톨루엔2,4-디브로모톨루엔3-메틸-5-니트로아닐린

공급사16 곳

上海马氏化学科技有限公司19916721580 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
盖米科技(青岛)有限公司19524370118 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海超岚化工科技中心(原宁波市超明生物科技有限公司)13301662590 · [email protected]
上海宏合医药科技有限公司18352536981
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海研易宝医药科技有限公司13661744693 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
医恩医疗系统研发(上海)有限公司021-58958002 18930822973 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
常州非凡医药科技有限公司0519-82111935 15195055733 · [email protected]
Richest Group Ltd18017061086 · [email protected]

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