2,6-디아미노피리딘

2,6-Diaminopyridine

HCID 8861CAS 141-86-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Nc1cccc(N)n1
InChIKey
VHNQIURBCCNWDN-UHFFFAOYSA-N
분자식
C5H7N3
평균 분자량
109.13 g/mol
단동위원소 질량
109.06399722

개요

structure in first source

이름 및 식별자

우선 이름
2,6-Diaminopyridine
IUPAC
pyridine-2,6-diamine
현지명
2,6-디아미노피리딘
영어명
2,6-Diaminopyridine
분자식
C5H7N3
분자량
109.13

이름 및 동의어

2,6-Diaminopyridine141-86-6pyridine-2,6-diamine2,6-pyridinediaminepyridine, 2,6-diamino-DAP (amine)DTXSID0040127NSC-1921K89AB8CKG6RODOL 26PYRDTXCID8020127RefChem:83122
이름 더 보기
2,6-디아미노피리딘2,6-다이아미노피리딘2,6-DAP6-DiaMinopyridine26BDNSC 4033462.6-DiaMinopyr
CHEBI:51598205-507-2Diaminopyridinepyridine-2,6-diyldiamineMFCD00006329NSC 19212,6-Diamino pyridine118352-40-2

데이터베이스 식별자

CAS
141-86-6
PubChem CID
8861
DTXSID
DTXSID0040127
ChEMBL
CHEMBL339234
UNII
K89AB8CKG6
EC Number
205-507-2
Nikkaji
J38.340F

물성

구조 계산 물성

XLogP
0.2
극성 표면적
64.9 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
8

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Pyridines
CosmeticsHair dyeing
Boiling Point285 °C @760 [mm Hg]
Physical DescriptionSlightly brown solid; [EC: SCCS - Opinion] Light brown, yellow, or off-white powder or flakes; [Alfa Aesar MSDS]
Ionization Efficiency · 6건

Positive

3.05

1.9

Agilent XCT

Electrospray ionization

trifluoroacetic acid (10.4nM)

Collision Cross Section119.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0040127]

물리화학적 성질

녹는점
117 · 117-122 °C (lit.)
끓는 점
285 °C · 285 °C (lit.)
밀도
1.711 · 1.7110 (rough estimate)
굴절률
1.534 · 1.5340 (estimate)
인화점
155 °C · 155°C
저장 조건
30 °C · Store below +30°C.

화학적 성질

Off-white crystal powder/granuale

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (99%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 103 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 2,6-Pyridinediamine

2,6-Diaminopyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

One report of occupational contact dermatitis in the pharmaceutical industry; [NTP] A strong sensitizer based on the mouse local lymph node assay (LLNA); Oral LD50 (rat) = 50-300 mg/kg; A 90-day oral study of rats demonstrated the erythrocytes, spleen, kidney, and liver as target organs of toxicity (most changes recovering after 4-week recovery period); Developmental toxicity (decreased fetal and placental weights and incomplete thoracic vertebrae ossification) but no teratogenicity observed in oral study of rats in the presence of maternal toxicity; [EC: SCCS - Opinion] An irritant; Toxic by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 3 (99%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

0.33 [mg/m3]

3.6 [mg/m3]

22 [mg/m3]

독성 정보

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.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
US7570000
ridadr
2811
HS 번호
29333999
risk_code
22-36/37/38-25-20/21

화학 및 산업

용도 및 제조

Uses · 2건

Used in oxidative hair dyes; [EC: SCCS - Opinion] Used as an intermediate for pharmaceuticals and polyamides, epoxy curing agent, and coupler in hair dyes; [NTP]

Plastic Composites Manufacturing [Category: Industry]

Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information2,6-Pyridinediamine: ACTIVE
응용 분야 · 2건

개요2,6-Diaminopyridine is an important organic reagent with a wide range of uses. It can be used for fluorescence detection, 2,6-Diaminopyridine fluorescence method for the determination of certain aromatic primary amines. It can also be used to prepare 2,6-Diaminopyridine imprinted core-shell nanoparticles. A new method for the detection of diaminopyridine derivatives using molecularly imprinted electrochemical sensors has been established, which has been applied to the detection of 2,6-Diaminopyridine in hair dyes with good sensitivity and selectivity.

용도2,6-Diaminopyridine, used as a pharmaceutical intermediate and a hair dye coupler in oxidation/permanent formulations.

제조 방법 · 1건

In a 600 mL autoclave equipped with a gas entrapment stirrer, a solution of 5 g CuI in 120 g aqueous ammonia (30% NH3 by weight) was added and mixed with 77 g ammonium acetate and 60 g of 2, 6-dichloropyridine. After purging with nitrogen, 24 g of liquid ammonia was added resulting in a pressure of about 150 psi (1.03 MPa). Subsequently, the reaction mixture was heated to 150°C for 8 h under stirring. Throughout the reaction, the pressure decreased from an initial pressure of 680 psi (4.69 MPa) to 450 psi (3.10 MPa). The reaction mixture was allowed to cool to room temperature, and the pressure was brought back to atmospheric pressure. Finally, 2,6-Diaminopyridine was obtained after purification.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

관련 반응

132건
반응 기록 만들기

연결된 노트

불러오는 중…