6-Chloro-7-iodo-7-deazapurine (HCID 14809281)

이름 및 식별자

우선 이름: 6-Chloro-7-iodo-7-deazapurine
IUPAC: 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
영어명: 4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine
분자식: C6H3ClIN3
분자량: 279.47

이름 및 동의어

6-Chloro-7-iodo-7-deazapurineRefChem:541823626-377-74-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine123148-78-74-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine4-Chloro-5-iodo-1H-pyrrolo[2,3-d]pyrimidineMFCD092632587H-PYRROLO[2,3-D]PYRIMIDINE, 4-CHLORO-5-IODO-CHEMBL5409944-CHLORO-5-IODOPYRROLO[2,3-D]PYRIMIDINESCHEMBL61206

이름 더 보기

EOS-621216-Chloro-7-iodo-deazapurine4-Chloro-5-iodo-1H-pyrrol...6-Chloro-7-iodo-7-deazapurine,96%6-Chloro-7-iodo-7-deazapurine >Name 6-Chloro-7-iodo-7-deazapurine4-CHLORO-5-IODO-7H-PYRROL[2,3]PYRIMIDINE

orb1908279SCHEMBL1735817DTXSID00564258TNU0717CBWBJFJMNBPWAL-UHFFFAOYSA-NCS-M1580BDBM50414152AKOS015850517

데이터베이스 식별자

CAS: 123148-78-7
PubChem CID: 14809281
DTXSID: DTXSID00564258
ChEMBL: CHEMBL540994
EC Number: 626-377-7
Nikkaji: J1.064.939K

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 157

물리화학적 성질

녹는점: 179 · 179-183 °C
끓는 점: 241 · 241.0±50.0 °C(Predicted)
밀도: 2.47 · 2.47±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 9.61 · 9.61±0.20(Predicted)
색상: White to Orange to Green
수용성: 물에 불용성.
InChI: InChI=1S/C6H3ClIN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11)
InChIKey: CBWBJFJMNBPWAL-UHFFFAOYSA-N
SMILES: C1=NC(Cl)=C2C(I)=CNC2=N1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (89.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): 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, 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 47 reports by companies from 7 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 (89.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

안전 데이터

wgk: 3
HS 번호: 29335990
risk_code: 22-36/37/38-R36/37/38-R22
hazard_code: Xn
safety_code: 26-36/37-S36/37-S26-37
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도6-Chloro-7-iodo-7-deazapurine is used as pharmaceutical intermediate.

상·하류 제품 정보

상류 원료

하류 제품

5-iodo-7-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine 4-클로로-7H-피롤로[2,3-d]피리미딘-5-카르보니트릴 PF-06447475 5-IODOTUBERCIDIN 4-Chloro-7-cyclopentyl-5-iodo-7H-pyrrolo[2,3-d]pyrimidine

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

南部县诚信科技有限公司0838-5675166 15883665058 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

추가 설명 · 1건

정의4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine, also known as 6-Chloro-7-iodo-7-deazapurine or 4-Chloro-5-iodo-1H-pyrrolo[2,3-d]pyrimidine, is a white solid that can be obtained by iodine reaction of 4-chloro-7h-pyrrole [2,3-d] pyrimidine with NIS.