2-Amino-5-iodo-3-nitropyridine

HCID 3384468CAS 25391-57-5

기본 정보

표준 SMILES: Nc1ncc(I)cc1[N+](=O)[O-]
InChIKey: MDJUWRHSXKZSOJ-UHFFFAOYSA-N
분자식: C5H4IN3O2
평균 분자량: 265.01 g/mol
단동위원소 질량: 264.93482

이름 및 식별자

우선 이름: 2-Amino-5-iodo-3-nitropyridine
IUPAC: 5-iodo-3-nitropyridin-2-amine
영어명: 2-AMINO-5-IODO-3-NITROPYRIDINE
분자식: C5H4IN3O2
분자량: 265.01

이름 및 동의어

25391-57-52-Amino-5-iodo-3-nitropyridineDTXSID10391991RefChem:464616DTXCID60342852626-879-65-iodo-3-nitropyridin-2-amineMFCD040384645-iodo-3-nitro-pyridin-2-amine2-Pyridinamine, 5-iodo-3-nitro-5-Iodo-3-nitro-2-aminopyridineSCHEMBL1601280

이름 더 보기

Zinc042029185-iodo-3-nitro-2-pyridinamine2-PYRIDINAMINE,5-IODO-3-NITRO2-Amino-3-nitro-5-iodopyridine5-IODO-3-NITRO-PYRIDIN-2-YLAMINE2-Amino-5-iodo-3-nitropyridine 95+%2-AMINO-5-IODO-3-NITROPYRIDINE ISO 9001：2015 REACH

5-iodo-3-nitro-2-pyridylamineSBB065277AKOS005257300PB233792-Amino-5-iodo-3-nitropyridine, 97%DS-12470SY041319DB-046691

데이터베이스 식별자

CAS: 25391-57-5
PubChem CID: 3384468
DTXSID: DTXSID10391991
EC Number: 626-879-6

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 84.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 215 · 215-219 °C (lit.)
끓는 점: 365.4 · 365.4±42.0 °C(Predicted)
밀도: 2.229 · 2.229±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: solid
산도 계수 (pKa): 0.41 · 0.41±0.49(Predicted)
InChI: 1S/C5H4IN3O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H,(H2,7,8)
InChIKey: MDJUWRHSXKZSOJ-UHFFFAOYSA-N
SMILES: Nc1ncc(I)cc1[N+]([O-])=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 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. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 2933399990
risk_code: 22-36/37/38-43
hazard_code: Xn,Xi
safety_code: 26-36/37
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids