[ CAS No. 1188-35-8 ]

Name: 1188-35-8|Triethyl butane-1,2,4-tricarboxylate|97%
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Quality Control of [ 1188-35-8 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 1188-35-8 ]

CAS No. :	1188-35-8	MDL No. :	MFCD28155103
Formula :	C₁₃H₂₂O₆	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	CKNUUYLRWBMMIE-UHFFFAOYSA-N
M.W :	274.31 g/mol	Pubchem ID :	14911875
Synonyms :

Calculated chemistry of [ 1188-35-8 ]

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.77
Num. rotatable bonds :	12
Num. H-bond acceptors :	6.0
Num. H-bond donors :	0.0
Molar Refractivity :	68.46
TPSA :	78.9 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.13 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.29
Log Po/w (XLOGP3) :	1.19
Log Po/w (WLOGP) :	1.46
Log Po/w (MLOGP) :	1.47
Log Po/w (SILICOS-IT) :	2.32
Consensus Log Po/w :	1.95

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	1.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.5
Solubility :	8.71 mg/ml ; 0.0317 mol/l
Class :	Very soluble
Log S (Ali) :	-2.44
Solubility :	0.989 mg/ml ; 0.00361 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.59
Solubility :	0.712 mg/ml ; 0.00259 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.23

Safety of [ 1188-35-8 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1188-35-8 ]

* 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 [ 1188-35-8 ]

[ 1188-35-8 ] Synthesis Path-Downstream 1~34

1
[ 64-17-5 ]
[ 5238-65-3 ]
[ 1188-35-8 ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid at 135℃;

Reference： [1]Piepenbrink [Justus Liebigs Annalen der Chemie, 1951, vol. 572, p. 83,91]

2
[ 923-42-2 ]
[ 1188-35-8 ]

Reference： [1]Journal of the Chemical Society,1906,vol. 89,p. 1647

3
[ 101777-46-2 ]
[ 1188-35-8 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride beim Erwaermen des Reaktionsprodukts mit Benzol, Aethanol und wenig Schwefelsaeure unter Entfernen des entstehenden Wassers;

Reference： [1]Schemjakin et al. [Zhurnal Obshchei Khimii, 1957, vol. 27, p. 742,748; engl. Ausg. S. 817, 822]

4
[ 64-17-5 ]
[ 923-42-2 ]
[ 1188-35-8 ]

Yield	Reaction Conditions	Operation in experiment
100%	With sulfuric acid; for 24.0h;Heating / reflux;	Example 22; N1,N6-Bis-[2-(N-(2,3-dihydroxy-propyl)-5-(2-hydroxy-acetylamino)-2,4,6- triiodo-isophthalylamino)-hexyll]-N4'-(2,3-dihydroxy-propyl)-5-(2-hydroxy- acetylamino)-2,4,6-triiodo-isophthalamide; a) 3-ethoxycarbonylhexanedioic acid diethyl ester; To an ethanolic solution of 3-carboxyhexanedioic acid (10 g) was added a few drops of cone, sulphuric acid. The mixture was heated at reflux for 24 hours. After Aquesous work up and extraction in to DCM concentration of the dried organic layer yielded a clear oil. This was found to be 3-ethoxycarbonylhexanedioic acid diethyl ester by NMR in quantitative yield.

Reference： [1]Patent: WO2007/94683,2007,A1 .Location in patent: Page/Page column 58
[2]Journal of Organic Chemistry USSR (English Translation),1984,vol. 20,p. 268 - 277
Zhurnal Organicheskoi Khimii,1984,vol. 20,p. 301 - 312
[3]Journal of Organic Chemistry,1961,vol. 26,p. 3757 - 3761

5
[ 64-17-5 ]
[ 20498-91-3 ]
[ 1188-35-8 ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid

Reference： [1]Inhoffen,H.H. et al. [Justus Liebigs Annalen der Chemie, 1968, vol. 714, p. 24 - 42] Shchegolev,A.A.; Kucherov,V.F. [Bulletin of the Academy of Sciences of the USSR Division of Chemical Science, 1972, vol. 21, p. 1061 - 1066][Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1972, vol. 21, # 5, p. 1107 - 1114]

6
[ 1188-35-8 ]
[ 89896-42-4 ]

Yield	Reaction Conditions	Operation in experiment
	With ammonia

Reference： [1]Lynn,J.W. et al. [Journal of Organic Chemistry, 1961, vol. 26, p. 3757 - 3761]

7
[ 1188-35-8 ]
[ 38230-84-1 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium In benzene Heating;

Reference： [1]Mukharji,P.C. et al. [Indian Journal of Chemistry, 1971, vol. 9, p. 515 - 523]

8
[ 1113-80-0 ]
[ 1188-35-8 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium ethanolate

Reference： [1]Gelin,R.; Chignac,M. [Bulletin de la Societe Chimique de France, 1965, p. 139 - 143]

9
[ 1188-35-8 ]
[ 105-36-2 ]
3,4-Bis-ethoxycarbonyl-heptanedioic acid diethyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	(i) Na, EtOH, (ii) /BRN= 506456/, NaOEt; Multistep reaction;

Reference： [1]Shchegolev,A.A.; Kucherov,V.F. [Bulletin of the Academy of Sciences of the USSR Division of Chemical Science, 1972, vol. 21, p. 1061 - 1066][Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1972, vol. 21, # 5, p. 1107 - 1114]

10
[ 1188-35-8 ]
[ 105-36-2 ]
[ 38230-85-2 ]

Yield	Reaction Conditions	Operation in experiment
	(i) Na, EtOH, (ii) /BRN= 506456/, NaOEt; Multistep reaction;

11
[ 1188-35-8 ]
[ 74-88-4 ]
[ 3033-53-2 ]

Yield	Reaction Conditions	Operation in experiment
	(i) Na, (ii) /BRN= 969135/, (iii) HCl, AcOH; Multistep reaction;

Reference： [1]Vul'fson,N.S.; Zaretskii,V.I. [Journal of general chemistry of the USSR, 1964, vol. 34, p. 823 - 826][Zhurnal Obshchei Khimii, 1964, vol. 34, # 3, p. 828 - 832]

12
[ 1188-35-8 ]
[ 38230-84-1 ]
[ 54697-23-3 ]

Yield	Reaction Conditions	Operation in experiment
1: 10% 2: 65%	With potassium hydroxide In N,N-dimethyl-formamide at 50 - 60℃;
	With sodium ethanolate In toluene for 2h; Reflux; Overall yield = 88 %;	We designed an alternate new route in Scheme 4 (novel method of this invention) to provide a functionalization handle, ethoxycarbonyl group, attached at 5- or 6- position of the cyclopenta[d]pyrimidine. Commercially available tricarboxylic acid (compound 8, Scheme 4) treated with oxalyl chloride and a catalytic amount of DMF afforded tricarbonyl chloride (compound 9, Scheme 4) in 95% yield. Triethyl esterificaton of compound 9, Scheme 4, with anhydrous ethanol in toluene gave the triethyl carboxylate (compound 10, Scheme 4) in almost quantitative yield. Cyclization of compound 10, Scheme4, with sodium ethoxide in toluene provided two diethoxycarbonyl cyclopentones compounds 1 la and 1 ib, Scheme 4, mixture in 88% total yield. Cyclization of the mixture of compounds 1 la and 1 lb regioisomers (Scheme 4)with acetamidine afforded a mixture of cyclopenta[d]pyrimidines (compounds 12a and 12b, Scheme 4) in 91% total yield.

Reference： [1]Sizov, A. Yu.; Dombrovskii, V. A.; Yanovskaya, L. A. [Bulletin of the Academy of Sciences of the USSR Division of Chemical Science, 1991, vol. 40, # 5.1, p. 955 - 961][Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1991, # 5, p. 1073 - 1079]
[2]Current Patent Assignee: WAYNE STATE UNIVERSITY; DUQUESNE UNIVERSITY OF THE HOLY SPIRIT - WO2016/22881, 2016, A1 Location in patent: Page/Page column 24

13
[ 1188-35-8 ]
[ 54697-23-3 ]
3-oxo-cyclopentane-1,2-dicarboxylic acid diethyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
9 g	With hydrogenchloride; ethanol; sodium In benzene for 3h; Heating;

Reference： [1]Tolstikov, G. A.; Miftakhov, M. S.; Akbutina, F. A. [Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, p. 268 - 277][Zhurnal Organicheskoi Khimii, 1984, vol. 20, # 2, p. 301 - 312]

14
[ 70600-48-5 ]
[ 1188-35-8 ]

Yield	Reaction Conditions	Operation in experiment
85%	With water; sodium chloride In dimethyl sulfoxide at 185 - 190℃; for 5.5h;

Yield	Reaction Conditions	Operation in experiment
	1) Cyclisier., 2) Decarboxylier., 3) Verester. u. katalisier. nach Sato -> 3.3-Aethylendioxyd-cyclopentan-carbonsaeureaethylester;

Yield	Reaction Conditions	Operation in experiment
	1-Cyan-butan-tricarbonsaeure-(3,3,4)-triaethylester, 1) sd. konz. HCl, 2) sd. ca. 25percentig. aethanol. H2SO4, 3 d;
	corresp. tricarboxylic acid in C2H5OH, p-CH3-C6H4-SO3H, ethanolysis;
	2, 1. HCl, 2. A./H2SO4;

Saeure II, EtOH;

17
[ 1188-35-8 ]
[ 38230-84-1 ]

Reference： [1]Haworth; Perkin [Journal of the Chemical Society, 1908, vol. 93, p. 575]

18
[ 56-23-5 ]
[ 1188-35-8 ]
[ 38230-84-1 ]
[ 54697-23-3 ]

Yield	Reaction Conditions	Operation in experiment
	in vom Loesungsmittel abhaengigem Mengenverhaeltnis;

Reference： [1]Ruzicka; Borges de Almeida; Brack [Helvetica Chimica Acta, 1934, vol. 17, p. 189] Birch; Oldham; Johnson [Journal of the Chemical Society, 1947, p. 818]

19
[ 1188-35-8 ]
[ 64-17-5 ]
[ 38230-84-1 ]
[ 54697-23-3 ]

Yield	Reaction Conditions	Operation in experiment
	in vom Loesungsmittel abhaengigem Mengenverhaeltnis;

Reference： [1]Ruzicka; Borges de Almeida; Brack [Helvetica Chimica Acta, 1934, vol. 17, p. 189] Birch; Oldham; Johnson [Journal of the Chemical Society, 1947, p. 818]

20
[ 1188-35-8 ]
[ 71-43-2 ]
[ 38230-84-1 ]
[ 54697-23-3 ]

Yield	Reaction Conditions	Operation in experiment
	in vom Loesungsmittel abhaengigem Mengenverhaeltnis;

Reference： [1]Ruzicka; Borges de Almeida; Brack [Helvetica Chimica Acta, 1934, vol. 17, p. 189] Birch; Oldham; Johnson [Journal of the Chemical Society, 1947, p. 818]

21
[ 101568-03-0 ]
[ 1188-35-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 1.) KOH; 2.) aq. HCl / methanol; H₂O / 5 h / Heating

22
[ 2832-14-6 ]
[ 1188-35-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 85 percent / KOH / benzyltriethylammonium chloride (BTEAC) / dimethylformamide / 40 - 45 °C 2: 85 percent / NaCl, water / dimethylsulfoxide / 5.5 h / 185 - 190 °C

23
[ 140-88-5 ]
[ 1188-35-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: 85 percent / KOH / benzyltriethylammonium chloride (BTEAC) / dimethylformamide / 30 - 45 °C 2: 85 percent / KOH / benzyltriethylammonium chloride (BTEAC) / dimethylformamide / 40 - 45 °C 3: 85 percent / NaCl, water / dimethylsulfoxide / 5.5 h / 185 - 190 °C

24
[ 1119-85-3 ]
[ 1188-35-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: potassium cyanide; pyridine / 80 °C 2: sulfuric acid / 135 °C

Reference： [1]Piepenbrink [Justus Liebigs Annalen der Chemie, 1951, vol. 572, p. 83,91]

25
[ 13042-02-9 ]
[ 1188-35-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: potassium cyanide; pyridine 2: sulfuric acid / 135 °C

Reference： [1]Piepenbrink [Justus Liebigs Annalen der Chemie, 1951, vol. 572, p. 83,91]

26
[ 1188-35-8 ]
[ 15240-03-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: (i) Na, EtOH, (ii) /BRN= 506456/, NaOEt 2: aq. HCl / Heating

27
[ 1188-35-8 ]
[ 38230-87-4 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: (i) Na, EtOH, (ii) /BRN= 506456/, NaOEt 2: aq. HCl / Heating 3: H₂SO₄

28
[ 1188-35-8 ]
(1S,2S)-1-[2-(3-Methoxy-phenyl)-ethyl]-5-oxo-cyclopentane-1,2-dicarboxylic acid diethyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: Na / benzene / Heating 2: K / benzene

Reference： [1]Mukharji,P.C. et al. [Indian Journal of Chemistry, 1971, vol. 9, p. 515 - 523]

29
[ 1188-35-8 ]
(1S,2S)-1-[2-(3-Methoxy-2-methyl-phenyl)-ethyl]-5-oxo-cyclopentane-1,2-dicarboxylic acid diethyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: Na / benzene / Heating 2: K / benzene

Reference： [1]Mukharji,P.C. et al. [Indian Journal of Chemistry, 1971, vol. 9, p. 515 - 523]

30
[ 7209-00-9 ]
[ 1188-35-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: NaOEt 2: NaOEt

Reference： [1]Gelin,R.; Chignac,M. [Bulletin de la Societe Chimique de France, 1965, p. 139 - 143]

31
[ 1188-35-8 ]
[ 206565-32-4 ]

Yield	Reaction Conditions	Operation in experiment
85%	With methanol; sodium tetrahydroborate In <i>tert</i>-butyl alcohol for 1h; Heating / reflux;	22.b b) 3-Hvdroxymethyl-hexane-1 ,6-diol; To a solution of 3-ethoxycarbonylhexanedioic acid diethyl ester (10 g, 0.036 mol) in tert-butanol (100 mL) was added sodiumborohydride (6 g). The mixture was heated to reflux. Methanol (10 mL) was added in 3 aliquots over 30 minutes. The solution was heated at reflux for a further 30 minutes and allowed to cool. The solution was neutralised with 5 M hydrochloric acid with care. The solution was filtered and extracted with ethanol (2 x 50 mL). The solutions were combined and the solvent was removed at reduced pressure. The residue was extracted with ethanol (60 mL), filtered and concentrated at reduced pressure to yield the desired product as a clear, colourless liquid. This was analysed by NMR in D2O and found to be 3- hydroxymethylhexane-1 ,6-diol in a yield of 4.5 g (85%).

Reference： [1]Current Patent Assignee: GENERAL ELECTRIC CO - WO2007/94683, 2007, A1 Location in patent: Page/Page column 59

32
[ 64-17-5 ]
C₂₁H₂₃N₅O₇ [ No CAS ]
[ 1188-35-8 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium ethanolate In toluene	Scheme 4. Synthesis of cyclopenta[d]pyrimidine scaffold.We designed an alternate new route in Scheme 4 (novel method of this invention) to provide a functionalization handle, ethoxycarbonyl group, attached at 5- or 6- position of the cyclopenta[d]pyrimidine. Commercially available tricarboxylic acid (compound 8, Scheme 4) treated with oxalyl chloride and a catalytic amount of DMF afforded tricarbonyl chloride (compound 9, Scheme 4) in 95% yield. Triethyl esterificaton of compound 9, Scheme 4, with anhydrous ethanol in toluene gave the triethyl carboxylate (compound 10, Scheme 4) in almost quantitative yield. Cyclization of compound 10, Scheme4, with sodium ethoxide in toluene provided two diethoxycarbonyl cyclopentones compounds 1 la and 1 ib, Scheme 4, mixture in 88% total yield. Cyclization of the mixture of compounds 1 la and 1 lb regioisomers (Scheme 4)with acetamidine afforded a mixture of cyclopenta[d]pyrimidines (compounds 12a and 12b, Scheme 4) in 91% total yield.

Reference： [1]Current Patent Assignee: WAYNE STATE UNIVERSITY; DUQUESNE UNIVERSITY OF THE HOLY SPIRIT - WO2016/22881, 2016, A1 Location in patent: Page/Page column 24; 25

33
[ 1188-35-8 ]
[ 143-37-3 ]
C₁₁H₁₄N₂O₃ [ No CAS ]
C₁₁H₁₄N₂O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: 3-ethoxycarbonylhexane-1,6-dioic acid diethyl ester With sodium ethanolate In toluene for 2h; Reflux; Stage #2: acetamidine With potassium <i>tert</i>-butylate In N,N-dimethyl-formamide for 4h; Reflux; Overall yield = 91 %;	We designed an alternate new route in Scheme 4 (novel method of this invention) to provide a functionalization handle, ethoxycarbonyl group, attached at 5- or 6- position of the cyclopenta[d]pyrimidine. Commercially available tricarboxylic acid (compound 8, Scheme 4) treated with oxalyl chloride and a catalytic amount of DMF afforded tricarbonyl chloride (compound 9, Scheme 4) in 95% yield. Triethyl esterificaton of compound 9, Scheme 4, with anhydrous ethanol in toluene gave the triethyl carboxylate (compound 10, Scheme 4) in almost quantitative yield. Cyclization of compound 10, Scheme4, with sodium ethoxide in toluene provided two diethoxycarbonyl cyclopentones compounds 1 la and 1 ib, Scheme 4, mixture in 88% total yield. Cyclization of the mixture of compounds 1 la and 1 lb regioisomers (Scheme 4)with acetamidine afforded a mixture of cyclopenta[d]pyrimidines (compounds 12a and 12b, Scheme 4) in 91% total yield.

Reference： [1]Current Patent Assignee: WAYNE STATE UNIVERSITY; DUQUESNE UNIVERSITY OF THE HOLY SPIRIT - WO2016/22881, 2016, A1 Location in patent: Page/Page column 24

34
[ 1188-35-8 ]
[ 143-37-3 ]
C₉H₁₂N₂O₂ [ No CAS ]
C₉H₁₂N₂O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1: 42% 2: 40%	Stage #1: 3-ethoxycarbonylhexane-1,6-dioic acid diethyl ester With sodium ethanolate In toluene for 2h; Reflux; Stage #2: acetamidine With potassium <i>tert</i>-butylate In N,N-dimethyl-formamide for 4h; Reflux; Stage #3: With diisobutylaluminium hydride In tetrahydrofuran at -30℃;	Scheme 5. Reduction of compound 12 (Scheme 5), and separation of compounds 13a and 13b, Scheme 5.Reduction of ester moieties in the compounds 12a and 12b, Scheme 5, mixture with excess DIBALH at -30 °C afforded the hydroxy group. In the 5-hydroxyl regioisomer 13a, Scheme 5, the hydroxyl group formed an intramolecular hydrogen bond with the 4-oxo. This did not occur with the regioisomer 13b, Scheme 5. Thus intramolecular hydrogen bond resulted in significantly lower polarity of 13a compared with 13b, Scheme 5, (TLC (CHC13/MeOH, 10:1), Rf 0.45 of 13a vs 0.15 of 13b). Separation of compounds 13a and 13b, SchemeS, was achieved by silca gel column chromatography in 42% and 40% isolated yields respectively.

Reference： [1]Current Patent Assignee: WAYNE STATE UNIVERSITY; DUQUESNE UNIVERSITY OF THE HOLY SPIRIT - WO2016/22881, 2016, A1 Location in patent: Page/Page column 24; 25

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P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
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

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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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

[ CAS No. 1188-35-8 ]

Quality Control of [ 1188-35-8 ]

Related Doc. of [ 1188-35-8 ]

Product Details of [ 1188-35-8 ]

Calculated chemistry of [ 1188-35-8 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1188-35-8 ]

Application In Synthesis of [ 1188-35-8 ]

[ 1188-35-8 ] Synthesis Path-Downstream 1~34

Related Functional Groups of [ 1188-35-8 ]

Aliphatic Chain Hydrocarbons

Esters

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 1188-35-8 ]