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| CAS No.: | 70918-54-6 |
|---|---|
| Name: | (S)-1,4-Benzodioxane-2-carboxylic acid |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C9H8 O4 |
| Molecular Weight: | 180.16 |
| Synonyms: | 1,4-Benzodioxin-2-carboxylicacid, 2,3-dihydro-, (S)-; (2S)-2,3-Dihydro-1,4-benzodioxin-2-carboxylic acid;(S)-(-)-1,4-Benzodioxane-2-carboxylic acid; (S)-1,4-Benzodioxan-2-carboxylicacid; (S)-2,3-Dihydrobenzo[1,4]dioxine-2-carboxylic acid |
| Density: | 1.379 g/cm3 |
| Melting Point: | 96-99 ºC |
| Boiling Point: | 347.2 °C at 760 mmHg |
| Flash Point: | 145.4 °C |
| Hazard Symbols: |
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| Risk Codes: | R36/37/38 |
| Safety: | 26-36 |
| PSA: | 55.76000 |
| LogP: | 0.91100 |
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Chemistry
Empirical Formula: C9H8O4
Molecular Weight: 180.1574g/mol
Structure of 1,4-Benzodioxin-2-carboxylicacid, 2,3-dihydro-, (2S)- (CAS NO.70918-54-6):
Index of Refraction: 1.574
Molar Refractivity: 43.13 cm3
Molar Volume: 130.5 cm3
Polarizability: 17.09×10-24cm3
Surface Tension: 53.5 dyne/cm
Density: 1.379 g/cm3
Flash Point: 145.4 °C
Enthalpy of Vaporization: 62.41 kJ/mol
Melting Point: 96-99 °C
Boiling Point: 347.2 °C at 760 mmHg
Vapour Pressure: 2.07E-05 mmHg at 25°C
Systematic Name: (2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
SMILES: O=C(O)[C@H]1Oc2c(OC1)cccc2
InChI: InChI=1/C9H8O4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,10,11)/t8-/m0/s1
InChIKey: HMBHAQMOBKLWRX-QMMMGPOBBV
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Specification
1,4-Benzodioxin-2-carboxylicacid, 2,3-dihydro-, (2S)- , its cas register number is 70918-54-6. It also can be called (2S)-2,3-Dihydro-1,4-benzodioxine-2-carboxylic acid ; (S)-2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid . 1,4-Benzodioxin-2-carboxylicacid, 2,3-dihydro-, (2S)- (CAS NO.70918-54-6) is irritating to eyes, respiratory system and skin. So you should wear suitable protective clothing.