4,4'-(6-Chloropyrimidine-2,4-diyl)dimorpholine (HCID 686334)

이름 및 식별자

우선 이름: 4,4'-(6-Chloropyrimidine-2,4-diyl)dimorpholine
IUPAC: 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine
영어명: 4,4'-(6-chloropyriMidine-2,4-diyl)diMorpholine
분자식: C12H17ClN4O2
분자량: 284.74

이름 및 동의어

10244-24-34,4'-(6-Chloropyrimidine-2,4-diyl)dimorpholineDTXSID00350698RefChem:284467DTXCID40301765696-239-96-Chloro-2,4-bis(4-morpholinyl)pyrimidineMorpholine, 4,4'-(6-chloro-2,4-pyrimidinediyl)bis-MFCD018731504-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine4-[4-chloro-6-(morpholin-4-yl)pyrimidin-2-yl]morpholine2,4-dimorpholino-6-chloropyrimidine

이름 더 보기

100056EOS-61273Poloxamer 124 (L44)6-Chloro-2,4-di(4-morpholinyl)4-chloro-2,6-diMorpholinopyriMidine6-Chloro-2,4-di(4-morpholinyl)pyrimidine-(6-Chloropyrimidine-2,4-diyl)dimorpholine2,4-Bis(morpholin-4-yl)-6-chloropyrimidine

ChemDiv1_005701Oprea1_3245704,4/'-(6-Chloropyrimidine-2,4-diyl)dimorpholineSCHEMBL855348orb3143930HMS603D03KIWUTYCMQNZUPX-UHFFFAOYSA-NCS-M0292

데이터베이스 식별자

CAS: 10244-24-3
PubChem CID: 686334
DTXSID: DTXSID00350698
EC Number: 696-239-9
Nikkaji: J1.757.920G

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 50.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 285

물리화학적 성질

녹는점: 139 · 139-142℃
끓는 점: 508.7 · 508.7±60.0 °C(Predicted)
밀도: 1.327 · 1.327±0.06 g/cm3 (20 ºC 760 Torr)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: solid
산도 계수 (pKa): 6.1 · 6.10±0.50(Predicted)
InChI: 1S/C12H17ClN4O2/c13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17/h9H,1-8H2
InChIKey: KIWUTYCMQNZUPX-UHFFFAOYSA-N
SMILES: ClC1=CC(N2CCOCC2)=NC(N3CCOCC3)=N1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 3 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. 3 (33.3%)；Acute Tox. 4 (66.7%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；Acute Tox. 4 (66.7%)；STOT SE 3 (66.7%)

안전 데이터

wgk: WGK 3
HS 번호: 2933998090
risk_code: 25
hazard_code: T
safety_code: 45
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects