D-(-)-THREO-2-AMINO-1-(4-NITROPHENYL)-1,3-PROPANEDIOL D(-)苏-1-对硝基苯基-2-氨基-1,3-丙二醇

CAS 716-61-0 MFCD00078126

化学结构图

716-61-0
SMILES: N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1

化学属性

Mol. FormulaC9H12N2O4
Mol. Weight212.20
Melting Point163-165°C
Density1.422
Boiling Point451.9°C at 760 mmHg
Flash Point227.1°C

别名和识别编码

Chemical NameD-(-)-THREO-2-AMINO-1-(4-NITROPHENYL)-1,3-PROPANEDIOL
MDL NumberMFCD00078126
CAS Number716-61-0
Synonym (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol {LY} (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol {} {LY} (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol {} {} {LY} (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol {} {} {} {LY} (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol {} {} {} {} {LY} (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol {} {} {} {} {} {LY} (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol {} {} {} {} {} {} {LY} (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol {} {} {} {} {} {} {} {LY} (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol {} {} {} {} {} {} {} {} {LY} (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol {} {} {} {} {} {} {} {} {} {LY} (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol {} {} {} {} {} {} {} {} {} {} {LY} (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol {} {} {} {} {} {} {} {} {} {} {} {LY} (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol {} {} {} {} {} {} {}
PubChem Substance ID69745
EC Number211-938-7
Reaxys-RN4689682
Beilstein Registry Number2384789
Chemical Name TranslationD(-)苏-1-对硝基苯基-2-氨基-1,3-丙二醇
InChIKeyOCYJXSUPZMNXEN-RKDXNWHRSA-N
InChIInChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/m1/s1
Canonical SMILESO[C@H](C1=CC=C([N+]([O-])=O)C=C1)[C@H](N)CO
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分类

  • {SNA} Amino Alcohols, Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Organic Building Blocks

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P305+P351+P338
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
RTECSTY3100000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes 8 Xn
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • 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;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、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
UN Number 3259
Packing GroupIII
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1900 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   THERAP Therapie.  (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
   France)  V.1-    1946-  Volume(issue)/page/year: 22,1405,1967

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   THERAP Therapie.  (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
   France)  V.1-    1946-  Volume(issue)/page/year: 22,1405,1967

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 2 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 320,207,1994

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

系列性分类


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