CAS 85-18-7 MFCD00005581-8-Chloro-1,3-Dimethyl-1H-Purine-2,6(3H,7H)-Dione 8-氯-1,3-二甲基-3,7-二氢-1H-嘌呤-2,6-二酮 -LabNovo

8-Chloro-1,3-Dimethyl-1H-Purine-2,6(3H,7H)-Dione 8-氯-1,3-二甲基-3,7-二氢-1H-嘌呤-2,6-二酮

CAS 85-18-7 MFCD00005581

化学结构图

SMILES: CN1C(=O)C2NC(Cl)=NC=2N(C)C1=O

化学属性

Mol. Formula	C7H7ClN4O2
Mol. Weight	215
Melting Point	290
TSCA	No
Solubility	略溶于水

别名和识别编码

Chemical Name	8-Chloro-1,3-Dimethyl-1H-Purine-2,6(3H,7H)-Dione
CAS Number	85-18-7
Synonym	1,3-Dimethyl-8-chloro-9H-purine-2,6(1H,3H)-dione 1,3-Dimethyl-8-chloroxanthine 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl- 8-CHLORO-1,3-DIMETHYL-2,6(1H,3H)-PURINEDIONE 8-CHLORO-1,3-DIMETHYL-2,6-PURINEDIONE 8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE 8-CHLORO-1,3-DIMETHYLXANTHINE 8-CHLOROTHEOPHYLLINE 8-Chloro-1,2,3,6-tetrahydro-1,3-dimethyl-7H-purine-2,6-dione 8-Chloro-1,3-dimethyl-2,6(1H,3H)-purinedione 8-Chloro-1,3-dimethyl-2,6-purinedione 8-Chloro-1,3-dimethyl-7H-purine-2,6-dione 8-Chloro-1,3-dimethylxanthine 8-Chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione 8-Chlorotheophylline 8-Chlorothephyline 8-c 8-chloro-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione 8-chloro-3,7-dihydro-1,3-dimethyl-1h-purine-6-dione
MDL Number	MFCD00005581
PubChem Substance ID	87565447
EC Number	201-590-4
Beilstein Registry Number	203068
Chemical Name Translation	8-氯-1,3-二甲基-3,7-二氢-1H-嘌呤-2,6-二酮
Reaxys-RN	203068
LabNetwork Molecule ID	LN00193526

信息真实价格透明资金保障专业采购外包团队在线服务

品牌质保精细包装现货库存一流品牌服务

产品应用

A stimulant drug. It can be used as a binding agent to form stable salts of pharmaceutical drugs.

安全信息

WGK Germany3

GHS Symbol

Hazard statements

H302 Harmful if swallowed 吞食有害

Signal word Warning

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves

RTECSXH5063000

Safety Statements

S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36 Wear suitable protective clothing 穿戴适当的防护服；
S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；

Risk Statements

R22 Harmful if swallowed 吞咽有害
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Hazard Codes Xn

Precautionary statements

P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P301+P312
P301+P312+P330
P330 Rinse mouth. 漱口
P501 Dispose of contents/container to..… 处理内容物/容器.....

Packing GroupIII

Hazard Class6.1(b)

UN Number 2811

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 270 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
REFERENCE :
   APPNAH Acta Physiologica et Pharmacologica Neerlandica.  (Amsterdam,
   Netherlands)  V.1-15, 1950-69. For publisher information, see EJPHAZ.
   Volume(issue)/page/year: 2,63,1951

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 440 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APPNAH Acta Physiologica et Pharmacologica Neerlandica.  (Amsterdam,
   Netherlands)  V.1-15, 1950-69. For publisher information, see EJPHAZ.
   Volume(issue)/page/year: 2,63,1951

其他信息

8-氯茶碱价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 C0293 8-氯茶碱 8-Chlorotheophylline 25G 216元 2014/06/02 C0293 8-氯茶碱 8-Chlorotheophylline 250G 1040元 2010/05/25 A12408 8-氯茶碱, 99% 8-Chlorotheophylline, 99% 250g 1211元
上游原料:碘 --> 咖啡因
图谱信息:8-氯茶碱(85-18-7)红外图谱(IR1) 8-氯茶碱(85-18-7)质谱(MS) 8-氯茶碱(85-18-7)红外图谱(IR2)
Alfa Aesar:8-氯茶碱,99% 8-Chlorotheophylline, 99%(85-18-7)
MSDS 信息:8-Chloro-1,3-dimethyl-2,6(1H,3H)-purinedione(85-18-7).msds
Sigma Aldrich:85-18-7(sigmaaldrich)
方法一:由咖啡因经氯化、水解而得。在反应锅内，加入咖啡因、四氯化碳-硝基苯混合液以及碘片，升温至80℃以下，通氯气反应3小时。升温至90-95℃，通氯约5小时以上，反应液完全澄清，得7，8-二氯咖啡因。加水，加热蒸馏，使馏出液澄清无甲醛味为止。冷冻结晶，甩滤，用乙醇、氯仿依次洗涤，甩干，得8-氯茶碱。收率为60%。
MOL 文件:85-18-7.mol
用途一:抗过敏药物的中间体。
TCI Shanghai:8-氯茶碱 8-Chlorotheophylline,>;98.0%(T)(85-18-7)