CAS 78790-79-1 3-Aminopyridine-4-carbonitrile (HCID 10678219)

기본 정보

CAS: 78790-79-1
표준 SMILES: N#Cc1ccncc1N
InChIKey: PEZNQSQPDQLHPN-UHFFFAOYSA-N
분자식: C6H5N3
평균 분자량: 119.12 g/mol
단동위원소 질량: 119.04834717

이름 및 식별자

우선 이름: 3-Aminopyridine-4-carbonitrile
IUPAC: 3-aminopyridine-4-carbonitrile
영어명: 3-AMINO-4-CYANOPYRIDINE
분자식: C6H5N3
분자량: 119.12

이름 및 동의어

3-aminopyridine-4-carbonitrileRefChem:497795677-662-83-Amino-4-cyanopyridine78790-79-13-aminoisonicotinonitrile3-Amino-isonicotinonitrileMFCD040355964-PYRIDINECARBONITRILE, 3-AMINO-3-AMINO-4-PYRIDINECARBONITRILE3-amino4-cyanopyridine3-aminopyridine4-carbonitrile

이름 더 보기

3-Amino-4-cynanopyridine3-Amino-4-cyanopyridine,97%3-AMino-4-cyanopyridine, 95+%3-Aminoisonicotinonitrile 96%4-Pyridinecarbonitrile,3-amino-(9CI)

SCHEMBL166316SCHEMBL3213255SCHEMBL30166533DTXSID90443301PEZNQSQPDQLHPN-UHFFFAOYSA-NCS-D0761CL0126SBB051880

데이터베이스 식별자

CAS: 78790-79-1
PubChem CID: 10678219
DTXSID: DTXSID90443301
EC Number: 677-662-8

물성

구조 계산 물성

XLogP: 0.4
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: 135 · 135-138℃
끓는 점: 332.9 · 332.9±27.0 °C(Predicted)
밀도: 1.23 · 1.23±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 2.81 · 2.81±0.18(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301+H311+H331 (14.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H301 (71.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (71.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (42.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (14.3%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (42.9%): 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 7 reports by companies from 4 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 (71.4%)；Acute Tox. 3 (71.4%)；Skin Irrit. 2 (42.9%)；Eye Irrit. 2A (100%)；Acute Tox. 3 (14.3%)；STOT SE 3 (42.9%)