2,4-디클로로-5-요오도-7H-피롤로[2,3-d]피리미딘

2,4-Dichloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidine

HCID 57415902

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1012785-51-1
표준 SMILES: Clc1nc(Cl)c2c(I)c[nH]c2n1
InChIKey: RIRSSBIXHXMTLS-UHFFFAOYSA-N
분자식: C6H2Cl2IN3
평균 분자량: 313.91 g/mol
단동위원소 질량: 312.86705

이름 및 식별자

우선 이름: 2,4-Dichloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidine
IUPAC: 2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
현지명: 2,4-디클로로-5-요오도-7H-피롤로[2,3-d]피리미딘
영어명: 2,4-Dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
분자식: C6H2Cl2IN3
분자량: 313.91

이름 및 동의어

2,4-DICHLORO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDINE1012785-51-1DTXSID607255852,4-Dichloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidineRefChem:246239DTXCID50676330813-160-9MFCD131893647H-Pyrrolo[2,3-d]pyrimidine, 2,4-dichloro-5-iodo-SCHEMBL1017711AKOS016001612CS-W005702

이름 더 보기

2,4-디클로로-5-요오도-7H-피롤로[2,3-d]피리미딘RW40632,4-Dichloro-5-iodo-7H-py...2,4-DICHLORO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN

SB10375DS-11442SY058440AM10272FT-0742010SCHEMBL2208829CHEMBL6192345DA-16381

데이터베이스 식별자

CAS: 1012785-51-1
PubChem CID: 57415902
DTXSID: DTXSID60725585
ChEMBL: CHEMBL6192345
EC Number: 813-160-9
Nikkaji: J2.613.864G

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 182

물리화학적 성질

녹는점: 224 °C · 224 °C(Solv: dichloromethane (75-09-2))
밀도: 2.337 · 2.337±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 8.78 · 8.78±0.50(Predicted)
물리적 상태: 가루
색상: 연노랑

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, 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 4 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.