[ CAS No. 1878-87-1 ] {[proInfo.proName]}

Name: 1878-87-1|2-(2-Nitrophenoxy)acetic acid|98%
Brand: Ambeed
SKU: A325626
Price: 11.0 USD
Availability: InStock
Rating: 97 (40 reviews)

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

DV 2D 3D

3d Animation Molecule Structure of 1878-87-1

Structure of 1878-87-1 * Storage: {[proInfo.prStorage]}

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 1878-87-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1878-87-1 ]

SDS Specification

Alternatived Products of [ 1878-87-1 ]

Product Details of [ 1878-87-1 ]

CAS No. :	1878-87-1	MDL No. :	MFCD00016993
Formula :	C₈H₇NO₅	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	TYHHDWAHJRRYCU-UHFFFAOYSA-N
M.W :	197.14	Pubchem ID :	15883
Synonyms :

Calculated chemistry of [ 1878-87-1 ]

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.12
Num. rotatable bonds :	4
Num. H-bond acceptors :	5.0
Num. H-bond donors :	1.0
Molar Refractivity :	48.33
TPSA :	92.35 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) :	-6.81 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.84
Log Po/w (XLOGP3) :	0.97
Log Po/w (WLOGP) :	1.06
Log Po/w (MLOGP) :	0.03
Log Po/w (SILICOS-IT) :	-1.03
Consensus Log Po/w :	0.37

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-1.73
Solubility :	3.7 mg/ml ; 0.0188 mol/l
Class :	Very soluble
Log S (Ali) :	-2.5
Solubility :	0.628 mg/ml ; 0.00318 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.3
Solubility :	9.84 mg/ml ; 0.0499 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.11

Safety of [ 1878-87-1 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313	UN#:	N/A
Hazard Statements:	H315-H319	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 1878-87-1 ]

* 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.

Upstream synthesis route of [ 1878-87-1 ]
Downstream synthetic route of [ 1878-87-1 ]

[ 1878-87-1 ] Synthesis Path-Upstream 1~1

1
[ 1878-87-1 ]
[ 27320-99-6 ]

Reference： [1] Journal fuer Praktische Chemie (Leipzig), 1884, vol. <2> 29, p. 178
[2] Acta Chemica Scandinavica (1947-1973), 1969, vol. 23, p. 3482,3491
[3] Chemische Berichte, 1887, vol. 20, p. 1944 Anm.
[4] Journal fuer Praktische Chemie (Leipzig), 1882, vol. <2> 25, p. 265[5] Journal fuer Praktische Chemie (Leipzig), 1884, vol. <2> 29, p. 187,191

Same Skeleton Products

Related Products

Historical Records

Related Functional Groups of
[ 1878-87-1 ]

Aryls

[ 90721-77-0 ]

2-(4-Methoxy-3-nitrophenoxy)acetic acid

Similarity: 0.98

[ 83785-11-9 ]

2,2'-((2-Nitro-1,4-phenylene)bis(oxy))diacetic acid

Similarity: 0.98

[ 7506-93-6 ]

Methyl 2-(2-nitrophenoxy)acetate

Similarity: 0.96

[ 90923-41-4 ]

Methyl 2-(4-methoxy-3-nitrophenoxy)acetate

Similarity: 0.95

[ 83785-12-0 ]

Dimethyl 2,2'-((2-nitro-1,4-phenylene)bis(oxy))diacetate

Similarity: 0.95

Ethers

[ 90721-77-0 ]

2-(4-Methoxy-3-nitrophenoxy)acetic acid

Similarity: 0.98

[ 83785-11-9 ]

2,2'-((2-Nitro-1,4-phenylene)bis(oxy))diacetic acid

Similarity: 0.98

[ 7506-93-6 ]

Methyl 2-(2-nitrophenoxy)acetate

Similarity: 0.96

[ 90923-41-4 ]

Methyl 2-(4-methoxy-3-nitrophenoxy)acetate

Similarity: 0.95

[ 83785-12-0 ]

Dimethyl 2,2'-((2-nitro-1,4-phenylene)bis(oxy))diacetate

Similarity: 0.95

Carboxylic Acids

[ 90721-77-0 ]

2-(4-Methoxy-3-nitrophenoxy)acetic acid

Similarity: 0.98

[ 83785-11-9 ]

2,2'-((2-Nitro-1,4-phenylene)bis(oxy))diacetic acid

Similarity: 0.98

[ 6373-14-4 ]

2-(2-Amino-5-nitrophenoxy)acetic acid

Similarity: 0.95

Nitroes

[ 90721-77-0 ]

2-(4-Methoxy-3-nitrophenoxy)acetic acid

Similarity: 0.98

[ 83785-11-9 ]

2,2'-((2-Nitro-1,4-phenylene)bis(oxy))diacetic acid

Similarity: 0.98

[ 7506-93-6 ]

Methyl 2-(2-nitrophenoxy)acetate

Similarity: 0.96

[ 90923-41-4 ]

Methyl 2-(4-methoxy-3-nitrophenoxy)acetate

Similarity: 0.95

[ 83785-12-0 ]

Dimethyl 2,2'-((2-nitro-1,4-phenylene)bis(oxy))diacetate

Similarity: 0.95

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; iron(II) sulfate
	With iron; acetic acid
	With ethanol; platinum Hydrogenation;

	With palladium; acetic acid
	at 215℃;
	(electrochemical reduction);
	With palladium 10% on activated carbon; hydrogen In tetrahydrofuran for 24h;

Yield	Reaction Conditions	Operation in experiment
	With phosphorus pentachloride; toluene
	With thionyl chloride
	With thionyl chloride In ethyl acetate; benzene for 8h; Heating;

	With thionyl chloride
	With thionyl chloride In methanol; ethyl acetate for 7h; Heating;
	With thionyl chloride for 8h; Heating;
	With thionyl chloride In methanol; ethyl acetate; benzene for 8h; Heating;
	With thionyl chloride for 8h; Heating;
	With thionyl chloride for 2h; Heating;
	With thionyl chloride In chloroform for 6h; Heating;
	With thionyl chloride In chloroform Heating;
	With thionyl chloride Heating;
	With thionyl chloride
	With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 20℃;
	With thionyl chloride at 80℃; for 1h;

[ CAS No. 1878-87-1 ] {[proInfo.proName]}

Quality Control of [ 1878-87-1 ]

Related Doc. of [ 1878-87-1 ]

Product Details of [ 1878-87-1 ]