CAS 42182-27-4 2-Aminoisonicotinonitrile (HCID 7015524)

이름 및 식별자

우선 이름: 2-Aminoisonicotinonitrile
IUPAC: 2-aminopyridine-4-carbonitrile
영어명: 2-Amino-4-cyanopyridine
분자식: C6H5N3
분자량: 119.12

이름 및 동의어

2-aminoisonicotinonitrileRefChem:465159677-660-72-Amino-4-cyanopyridine42182-27-42-aminopyridine-4-carbonitrileMFCD037913102-Amino-isonicotinonitrileFlucloxacillin Penilloic Acid4-cyano-2-aminopyridineZ2952033602-Amino-4-cyanopyridin

이름 더 보기

2-Amino-4-cyanopyrid4-Cyano-2-pyridinamine5-AMINO-4-CYANOPYRIDINE2-Amino-4-cyanopyridine,97%2-Amino-4-pyridinecarbonitrile4-PYRIDINECARBONITRILE, 2-AMINO-2-Amino-4-cyanopyridine ISO 9001：2015 REACH

4-cyanopyridin-2-amine2-amino-4-cyano-pyridine2-Amino-4-Cyano PyridineSCHEMBL312451SCHEMBL907706SCHEMBL11549661SCHEMBL11549664SCHEMBL31294130

데이터베이스 식별자

CAS: 42182-27-4
PubChem CID: 7015524
DTXSID: DTXSID40426745
EC Number: 677-660-7
Nikkaji: J2.462.287H

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 62.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 134

물리화학적 성질

녹는점: 146 · 146-148°C
끓는 점: 297.7 · 297.7±20.0 °C(Predicted)
밀도: 1.23 · 1.23±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 3.93 · 3.93±0.11(Predicted)
수용성: 물에 약간 용해됩니다.
BRN: 386393 · 386393
InChI: InChI=1S/C6H5N3/c7-4-5-1-2-9-6(8)3-5/h1-3H,(H2,8,9)
InChIKey: GEEAYLFEIFJFGP-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC(C#N)=C1

화학적 성질

Yellow or pale brown cryst powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301+H311+H331 (81.6%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (97.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (84.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (81.6%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (81.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (97.4%)；Acute Tox. 3 (97.4%)；Skin Irrit. 2 (84.2%)；Eye Irrit. 2 (100%)；Acute Tox. 3 (81.6%)；STOT SE 3 (81.6%)

안전 데이터

ridadr: 3439
HS 번호: 29333990
risk_code: 20/21/22-36/37/38-41-37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36-39
포장분류: III
위험 등급: 6.1

화학 및 산업

응용 분야 · 2건

개요2-Amino-4-cyanopyridine is a pharmaceutical intermediate compound with two functional groups—an amino group and a cyano group—in its molecular structure, which are the primary factors contributing to its reactivity. It can also be used as a cyanide source for the preparation of organic light-emitting materials.

용도2-Amino-4-cyanopyridine is a pyridine derivative as mGluR2 antagonists; used in the treatment of CNS disorders.