78306-92-0|H-D-1-Nal-OH| Ambeed

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Quality Control of [ 78306-92-0 ] Purity: 97% SDS Specification

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Product Details of [ 78306-92-0 ]

CAS No. :	78306-92-0
Formula :	C₁₃H₁₃NO₂
M.W :	215.25
SMILES Code :	O=C(O)[C@H](N)CC1=C2C=CC=CC2=CC=C1
MDL No. :	MFCD00038544
InChI Key :	OFYAYGJCPXRNBL-GFCCVEGCSA-N
Pubchem ID :	6950505

Safety of [ 78306-92-0 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H332-H335
Precautionary Statements:	P261-P280-P305+P351+P338

Computational Chemistry of [ 78306-92-0 ] Show Less

Physicochemical Properties

Num. heavy atoms	16
Num. arom. heavy atoms	10
Fraction Csp3	0.15
Num. rotatable bonds	3
Num. H-bond acceptors	3.0
Num. H-bond donors	2.0
Molar Refractivity	63.01
TPSA ? Topological Polar Surface Area: Calculated from Ertl P. et al. 2000 J. Med. Chem.	63.32 Å²

Lipophilicity

Log P_o/w (iLOGP)? iLOGP: in-house physics-based method implemented from Daina A et al. 2014 J. Chem. Inf. Model.	1.37
Log P_o/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry	-0.15
Log P_o/w (WLOGP)? WLOGP: Atomistic method implemented from Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.	1.79
Log P_o/w (MLOGP)? MLOGP: Topological method implemented from Moriguchi I. et al. 1992 Chem. Pharm. Bull. Moriguchi I. et al. 1994 Chem. Pharm. Bull. Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.	-0.17
Log P_o/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	2.01
Consensus Log P_o/w? Consensus Log P_o/w: Average of all five predictions	0.97

Water Solubility

Log S (ESOL):? ESOL: Topological method implemented from Delaney JS. 2004 J. Chem. Inf. Model.	-1.34
Solubility	9.74 mg/ml ; 0.0452 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Very soluble
Log S (Ali)? Ali: Topological method implemented from Ali J. et al. 2012 J. Chem. Inf. Model.	-0.73
Solubility	40.5 mg/ml ; 0.188 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Very soluble
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	-3.55
Solubility	0.0609 mg/ml ; 0.000283 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble

Pharmacokinetics

GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg	High
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg	Yes
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) and tested on 415 molecules (test set) 10-fold CV: ACC=0.72 / AUC=0.77 External: ACC=0.88 / AUC=0.94	No
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.83 / AUC=0.90 External: ACC=0.84 / AUC=0.91	No
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.80 / AUC=0.86 External: ACC=0.80 / AUC=0.87	No
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) and tested on 2075 molecules (test set) 10-fold CV: ACC=0.78 / AUC=0.85 External: ACC=0.71 / AUC=0.81	No
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) and tested on 1068 molecules (test set) 10-fold CV: ACC=0.79 / AUC=0.85 External: ACC=0.81 / AUC=0.87	No
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) and tested on 2579 molecules (test set) 10-fold CV: ACC=0.77 / AUC=0.85 External: ACC=0.78 / AUC=0.86	No
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from Potts RO and Guy RH. 1992 Pharm. Res.	-7.72 cm/s

Druglikeness

Lipinski? Lipinski (Pfizer) filter: implemented from Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev. MW ≤ 500 MLOGP ≤ 4.15 N or O ≤ 10 NH or OH ≤ 5	0.0
Ghose? Ghose filter: implemented from Ghose AK. et al. 1999 J. Comb. Chem. 160 ≤ MW ≤ 480 -0.4 ≤ WLOGP ≤ 5.6 40 ≤ MR ≤ 130 20 ≤ atoms ≤ 70	None
Veber? Veber (GSK) filter: implemented from Veber DF. et al. 2002 J. Med. Chem. Rotatable bonds ≤ 10 TPSA ≤ 140	0.0
Egan? Egan (Pharmacia) filter: implemented from Egan WJ. et al. 2000 J. Med. Chem. WLOGP ≤ 5.88 TPSA ≤ 131.6	0.0
Muegge? Muegge (Bayer) filter: implemented from Muegge I. et al. 2001 J. Med. Chem. 200 ≤ MW ≤ 600 -2 ≤ XLOGP ≤ 5 TPSA ≤ 150 Num. rings ≤ 7 Num. carbon > 4 Num. heteroatoms > 1 Num. rotatable bonds ≤ 15 H-bond acc. ≤ 10 H-bond don. ≤ 5	0.0
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat implemented from Martin YC. 2005 J. Med. Chem.	0.55

Medicinal Chemistry

PAINS? Pan Assay Interference Structures: implemented from Baell JB. & Holloway GA. 2010 J. Med. Chem.	0.0 alert
Brenk? Structural Alert: implemented from Brenk R. et al. 2008 ChemMedChem	0.0 alert: heavy_metal
Leadlikeness? Leadlikeness: implemented from Teague SJ. 1999 Angew. Chem. Int. Ed. 250 ≤ MW ≤ 350 XLOGP ≤ 3.5 Num. rotatable bonds ≤ 7	No; 1 violation:MW<1.0
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties, trained on 12'782'590 molecules and tested on 40 external molecules (r² = 0.94)	1.7

Application In Synthesis of [ 78306-92-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 78306-92-0 ]

[ 78306-92-0 ] Synthesis Path-Downstream 1~23

1
[ 136086-24-3 ]
[ 78306-92-0 ]

References: [1]European Journal of Medicinal Chemistry,1991,vol. 26,p. 245 - 253.

2
[ 161633-96-1 ]
[ 78306-92-0 ]

References: [1]Journal of the American Chemical Society,1994,vol. 116,p. 8126 - 8132.

3
[ 78306-92-0 ]
[ 137795-35-8 ]
(R)-2-[(R)-5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-benzoylamino)-5-oxo-pentanoylamino]-3-naphthalen-1-yl-propionic acid [ No CAS ]

References: [1]Journal of Medicinal Chemistry,1996,vol. 39,p. 135 - 142.

4
[ 78306-92-0 ]
[ 188346-51-2 ]
[ 240428-62-0 ]

References: [1]Journal of Medicinal Chemistry,1999,vol. 42,p. 2588 - 2603.

5
2-amino-3-naphthalen-1-yl-propionic acid <i>tert</i>-butyl ester; hydrochloride [ No CAS ]
[ 55516-54-6 ]
[ 78306-92-0 ]

References: [1]Tetrahedron,2001,vol. 57,p. 2491 - 2498.

6
[ 67-56-1 ]
[ 78306-92-0 ]
[ 223771-37-7 ]

Yield	Reaction Conditions	Operation in experiment
		General procedure: To a flask containing DL-1-Naphthylalanine (1a) (1.0 g, 4.6 mmol), TMSCl (1.51 g, 14 mmol, 3 eq) was added, followed by anhydrous methanol (10 mL). The reaction was allowed to stir at room temperature overnight. Upon completion, the volatiles were removed in vacuo, affording the crude methyl ester hydrochloride (1.34 g). The crude salt was then dissolved in ethyl ether:methanol (7.5:1; 30 mL:4 mL) and cooled to -10 C. Triethylamine (6 mL) was slowly added and the reaction was stirred for one hour at -10 C. After reaction completion, the solution was filtered through a pad of celite to remove Et3N salt, and the filtrate was evaporated in vacuo affording the free base methyl ester (1.14 g). The methyl ester was dissolved in methanol (35 mL) and placed on an ice bath. Sodium borohydride (10 eq) was added portion-wise over 20 min and the reaction was allowed to come to room temperature overnight. The solvent was then evaporated, diluted with H2O (80 mL), and extracted with EtOAc (3 × 100 mL). The combined organic layers were dried over MgSO4, filtrated and concentrated in vacuo affording 2a as a white powder (0.87 g, 94%), which was used without further purification. 1H NMR (400 MHz, CDCl3T) delta8.05 (d, J = 7.0 Hz, 1H), 7.88 (d, J = 9.1 Hz, 1H), 7.77 (d, J = 8.7 Hz,1H), 7.53 (sext, J = 7.6 Hz, 2H), 7.43 (t, J = 7.7 Hz, 1H), 7.36 (d,J = 6.2 Hz, 1H), 3.72 (dd, J = 3.7, 10.6 Hz, 1H), 3.49 (dd, J = 6.6,10.6 Hz, 1H), 3.33 (m, 2H), 2.95 (dd, J = 9.7, 14.8 Hz, 1H). HRMS m/zcalculated for C13H16NO [M+H]+: 202.1232. Found: 202.1227.

References: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 1015 - 1018.
[2]Bioorganic and medicinal chemistry,2020,vol. 28.

7
[ 78306-92-0 ]
[ 62741-58-6 ]

References: [1]Advanced Synthesis and Catalysis,2006,vol. 348,p. 2183 - 2190.
[2]Advanced Synthesis and Catalysis,2006,vol. 348,p. 2183 - 2190.

8
[ 78306-92-0 ]
(2R)-2-[(2-bromobenzoyl)amino]-3-naphthalen-1-ylpropanoic acid [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 1015 - 1018.

9
[ 78306-92-0 ]
(R)-2-(2-Bromo-benzoylamino)-3-naphthalen-1-yl-propionic acid methyl ester [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 1015 - 1018.

10
[ 5440-57-3 ]
[ 78306-92-0 ]

References: [1]European Journal of Medicinal Chemistry,1991,vol. 26,p. 245 - 253.

11
[ 136015-49-1 ]
[ 78306-92-0 ]

References: [1]European Journal of Medicinal Chemistry,1991,vol. 26,p. 245 - 253.

12
[ 125761-75-3 ]
[ 78306-92-0 ]

References: [1]European Journal of Medicinal Chemistry,1991,vol. 26,p. 245 - 253.

13
[ 3163-27-7 ]
[ 78306-92-0 ]

References: [1]European Journal of Medicinal Chemistry,1991,vol. 26,p. 245 - 253.

14
[ 78306-92-0 ]
[ 223771-37-7 ]

Yield	Reaction Conditions	Operation in experiment
	With thionyl chloride; In methanol; at 20℃; for 21.0h;	Synthesis Example 85-1: Synthesis of D-3-(1-naphthyl) alanine methylester 1 ml of methanol was cooled to-10C, and 0.091 g of thionyl chloride was gradually added while stirring it. After 10 minutes, 0.04569 g of commercially available <strong>[78306-92-0]D-3-(1-naphthyl)alanine</strong> was added to the solution and the whole was stirred for 21 hours at room temperature, followed by concentrating it under reduced pressure. Then, 12 ml of methanol was added and the solvent was distilled off,these procedureswererepeated twice. The resulting mixture was distributed into a saturated sodiumbicarbonate aqueous solution and chloroform, followed by liquidly separating the mixture. A water layer was extracted with chloroform. An organic layer was dried with anhydrous sodium sulfate and then the solvent was distilled off, consequently 40.3 mg of the above-mentioned compound was obtained as a colorless liquid. MS(FAB,Pos.):m/z=230[M+1]+ 1H-NMR(500MHz,CDCl3):delta=3.14(1H,dd,J=13.9,8.8Hz),3.69(1H,dd,J=1 3.9,4.9Hz),3.91(1H,dd,J=8.8,4.9Hz),7.35(1H,d,6.1Hz),7.42(1H,d d,7.1,1.0Hz),7.48-7.57(2H,m),7.78(1H,d,8.3Hz),7.87(1H,dd,J=8. 1,1.2Hz), 8.09 (1H,d,J=8.5Hz).

References: [1]Patent: EP1389460,2004,A1 .Location in patent: Page/Page column 100.

15
[ 78306-92-0 ]
[ 119357-91-4 ]

Yield	Reaction Conditions	Operation in experiment
	With thionyl chloride; In methanol;	Example 85-1 Synthesis of methyl <strong>[78306-92-0]D-3-(1-naphthyl)alanine</strong> Methanol (1 ml) was cooled to -10C and thionyl chloride (0.091 g) was gradually added while stirring. After 10 minutes, commercially available <strong>[78306-92-0]D-3-(1-naphthyl)alanine</strong> (0.04569 g) was added. After stirring for 21 hours at room temperature, the reaction mixture was concentrated under reduced pressure. Methanol (12 ml) was added and the solvent was removed by distillation. The mixture obtained by repeating this procedure twice was fractioned into portions dissolvable into saturated sodium hydrogencarbonate aqueous solution and chloroform. The water layer was extracted with chloroform. The organic layer was dried over anhydrous sodium sulfate. The solvent was removed by distillation to obtain the title compound (40.3 mg) as a colorless liquid. MS(FAB,Pos.):m/z=230[M+1]+ 1H-NMR(500MHz,CDCl3):delta=3.14(1H,dd,J=13.9,8.8Hz),3.69(1H,dd, J=13.9,4.9Hz),3.91(1H,dd,J=8.8,4.9Hz),7.35(1H,d,6.1Hz),7.42 (1H,dd,7.1,1.0Hz),7.48-7.57(2H,m),7.78(1H,d,8.3Hz),7.87(1H,dd,J=8.1,1.2Hz),8.09(1H,d,J=8.5Hz).

References: [1]Patent: EP1273571,2003,A1 .

16
[ 28095-56-9 ]
[ 55516-54-6 ]
[ 78306-92-0 ]

Yield	Reaction Conditions	Operation in experiment
	With chiral stationary phase including isopropyl-functionalized CF6; In methanol; acetic acid; triethylamine; acetonitrile; at 0℃;Purification / work up;	In addition to the foregoing, numerous other chromatographic separations using a column bonded with a CSP including a derivatized cyclofructan residue were carried out. Tables 5-9 list some additional examples of chromatographic separations using a column bonded with a CSP of the present invention. AU examples of chromatographic separations using columns bonded with CSPs of the present invention were carried out using the following experimental conditions and procedures.\|0132\| The high performance liquid chromatography (HPLC) column packing system was composed of an air driven fluid pump (HASKEL, DSTV- 122), an air compressor, a pressure regulator, a low pressure gauge, two high-pressure gauges (10,000 and 6,000 psi), a slurry chamber, check valves, and tubings. The CSPs were slurry packed into a 25 cm x 0.46 cm (inner diameter, I. D.) stainless steel column.\|0133\| The HPLC system was an Agilent 1 100 system (Agilent Technologies, Palo Alto,CA), which consisted of a diode array detector, an autosampler, a binary pump, a temperature- controlled column chamber, and Chemstation software. All chiral analytes were dissolved in ethanol, methanol, or other appropriate mobile phases, as indicated. For the LC analysis, the injection volume and flow rate were 5 muL and 1 mL/min, respectively. Separations were carried out at room temperature (~20 0C) if not specified otherwise. The wavelengths of UV detection were 195, 200, 210, and 254 nm. The mobile phase was degassed by ultrasonication under vacuum for 5 min. Each sample was analyzed in duplicate. Three operation modes (the normal phase mode, polar organic mode, and reversed phase mode) were tested, unless indicated otherwise. In the normal phase mode, heptane with ethanol or isopropanol was used as the mobile phase. In some cases, trifluoroacetic acid (TFA) was used as an additive, as indicated. The mobile phase of the polar organic mode was composed of acetonitrile/methanol and small amounts of acetic acid and triethylamine. Water/acetonitrile or acetonitrile/acetate buffer (20 mM, pH = 4.1 ) was used as the mobile phase in the reversed-phase mode.\|0134\| Two different supercritical fluid chromatographic instruments were used. One was a Berger SFC unit with an FCM 1200 flow control module, a TCM 2100 thermal column module, a dual pump control module, and a column selection valve. The flow rate was 4 mL/min. The cosolvent was composed of methanol/ethanol/isopropanol = 1 : 1 : 1 and 0.2% diethylamine (DEA). The gradient mobile phase composition was 5% cosolvent hold during 0- 0.6 min, 5-60% during 0.6-4.3 min, 60% hold during 4.3-6.3 min, 60%-5% during 6.3-6.9 min, and 5% hold during 6.9-8.0 min. The other SFC system was a Jasco (MD, USA) system comprised of an autosampler unit (AS-2059-SF Plus), a dual pump module (PU-2086 Plus), a column thermostat module (CO-2060 Plus), a UV/Vis detector (UV-2075 Plus), and a back pressure regulator module (SCH-Vch-BP). Unless otherwise specified, the mobile phase was composed of CCVmethanol (0.1 % TFA or 0.1% diethylamine). The flow rate was 3 mL/min.\|0135\| For the calculations of chromatographic data, the "dead time" to was determined by the peak of the refractive index change due to the sample solvent or determined by injecting l ,3,5-tri-/e/-/-butylbenzene in the normal phase mode.

References: [1]Patent: WO2010/148191,2010,A2 .Location in patent: Page/Page column 45-49; 61.

17
[ 67-56-1 ]
[ 78306-92-0 ]
[ 188256-28-2 ]

References: [1]Journal of the American Chemical Society,2014,vol. 136,p. 5225 - 5228.

18
[ 883566-52-7 ]
[ 327-56-0 ]
[ 3744-87-4 ]
[ 15260-10-3 ]
[ 1132-68-9 ]
[ 68262-71-5 ]
[ 13139-14-5 ]
[ 78306-92-0 ]
[ 55260-24-7 ]
C₈₃H₁₁₆FN₂₅O₁₅S [ No CAS ]

References: [1]Angewandte Chemie - International Edition,2016,vol. 55,p. 13174 - 13179.
Angew. Chem.,2016,vol. 128,p. 13368 - 13373,6.

19
[ 28095-56-9 ]
[ 62741-58-6 ]
[ 78306-92-0 ]

References: [1]Advanced Synthesis and Catalysis,2017,vol. 359,p. 3773 - 3781.
[2]Catalysis science and technology,2018,vol. 8,p. 5359 - 5367.

20
[ 78306-92-0 ]
C₂₅H₂₉NO₅S [ No CAS ]

References: [1]Bioorganic and medicinal chemistry,2020,vol. 28.

21
[ 78306-92-0 ]
C₂₇H₃₁NO₄S [ No CAS ]

References: [1]Bioorganic and medicinal chemistry,2020,vol. 28.

22
[ 78306-92-0 ]
C₃₄H₃₉N₃O₃S [ No CAS ]

References: [1]Bioorganic and medicinal chemistry,2020,vol. 28.

23
[ 78306-92-0 ]
C₁₃H₁₅NO [ No CAS ]

References: [1]Bioorganic and medicinal chemistry,2020,vol. 28.

Historical Records

Technical Information

• Reactions of Benzene and Substituted Benzenes

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P234	Keep only in original container.
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Response
Code	Phrase
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P320
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P321
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P378
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P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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CAS No.: 78306-92-0

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CAS No.: 78306-92-0

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[ 78306-92-0 ] Synthesis Path-Downstream 1~23

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