기본 정보
- 표준 SMILES
CCN(CC)c1ccc(N)c(C)c1.Cl- InChIKey
MPLZNPZPPXERDA-UHFFFAOYSA-N- 분자식
- C11H18N2.ClH
- 평균 분자량
- 214.73 g/mol
- 단동위원소 질량
- 214.12367629
이름 및 식별자
- 우선 이름
- N,N-Diethyltoluene-2,5-diamine hydrochloride
- IUPAC
- 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydrochloride
- 현지명
- N,N-다이에틸톨루엔-2,5-다이아민에이치씨엘
- 영어명
- 4-(N,N-Diethyl)-2-methyl-p-phenylenediamine monohydrochloride
- 분자식
- C11H19ClN2
- 분자량
- 214.74
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
2051-79-8、24828-38-4- PubChem CID
- 108623
- DTXSID
DTXSID1038799- UNII
- 39MIH70E0I
- EC Number
- 218-130-3、246-484-9
물성
구조 계산 물성
- 극성 표면적
- 29.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 143
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 250 °C · 250 °C (dec.)(lit.)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 수용성
- 거의 투명함
- 안정성
- Stable under normal conditions., Stable Under Normal Conditions.
- 화장품 원료 기능
- 머리 염색
- InChI
- InChI=1S/C11H18N2.ClH/c1-4-13(5-2)10-6-7-11(12)9(3)8-10;/h6-8H,4-5,12H2,1-3H3;1H
- InChIKey
- MPLZNPZPPXERDA-UHFFFAOYSA-N
- SMILES
- N(C1C=CC(N)=C(C)C=1)(CC)CC.Cl
- NIST
- 2 · 2-Amino-5-diethylamino-toluene monohydrochloride(2051-79-8)
- EPA
- 2 · 2-Amino-5-diethylaminotoluene monohydrochloride (2051-79-8)
화학적 성질
White to grey white crystal
안전 및 규제
GHS 분류
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: 1,4-Benzenediamine, N4,N4-diethyl-2-methyl-, monohydrochloride
1,4-Benzenediamine, N4,N4-diethyl-2-methyl-, monohydrochloride: Does not have an individual approval but may be used under an appropriate group standard
4-Diethylamino-o-toluidine hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Can cause skin sensitization; [Marks] May form explosive dust-air mixtures; An eye irritant; Prolonged or repeated skin exposure may cause drying, cracking, or irritation; May cause skin sensitization (positive results in human test); May cause liver injury, based on animal studies (targets liver in repeated-dose oral studies of rats); Harmful by ingestion and inhalation; [Kodak MSDS]
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute toxicity - category 3
Acute Tox. 3 *
독성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SS9560000
- ridadr
- UN 2811 6.1/PG 3
- 독성
- LD50 oral in rat: 200mg/kg
- HS 번호
- 29215990
- risk_code
- 23/24/25-43-50/53-36-25
- hazard_code
- T,N
- safety_code
- 22-26-36/37/39-45-61-60-37-24
- 포장분류
- III
- 위험 등급
- 6.1(b)
- 기존화학 물질
- KE-10495
- Hazard Classifications
- Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Sens. 1
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
용도 및 제조
Uses
Used as professional photographic processing chemical; [Kodak MSDS]
Photographic Processing [Category: Other]
응용 분야
개요CD2 is a color-film developer. It acts as an allergen and an irritant in photographers. Cross reaetivity is possible with Disperse Blue 124, Disperse Blue 106, and Disperse red 17, but not to para-amino Compounds.
용도4-(N,N-Diethyl)-2-Methyl-p-Phenylenediamine Monohydrochloride (cas# 2051-79-8) was identified by HPLC in oxidative hair dye products.
상·하류 제품 정보
상류 원료
공급사50 곳
관련 반응
연결된 노트
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