Substances (GSRS)

.ALPHA.-CHLORO-P-TOLUOYL CHLORIDE

Also: 4-(CHLOROMETHYL)BENZOYL CHLORIDE, BENZOYL CHLORIDE, 4-(CHLOROMETHYL)-, NSC-508741 +1

chemicalUNII 944K6CA5WU

Open FDA's page for this record

Substance class

chemical

Definition type

PRIMARY

Definition level

COMPLETE

Uuid

6b0b77d8-8af7-4249-ac15-2366318ad829

Version

UNII

944K6CA5WU

Codes

Uuid
5b06b96d-e321-412b-9a1e-490a583e52a8
Code
876-08-4
Type
PRIMARY
Url
https://commonchemistry.cas.org/detail?cas_rn=876-08-4
Code system
CAS
References
8311c0cc-2b45-4c6b-ab22-7633fd0569c5, e041a6fd-c93b-43b9-9e2e-4bb8868717a1
Uuid
78b82929-e21b-45f3-aa02-449cda957e7e
Code
212-881-0
Type
PRIMARY
Url
https://echa.europa.eu/substance-information/-/substanceinfo/100.011.710
Code system
ECHA (EC/EINECS)
References
8311c0cc-2b45-4c6b-ab22-7633fd0569c5
Uuid
a8d1d3b9-e3c2-4f58-be12-b7229b65dba3
Code
70136
Type
PRIMARY
Url
https://pubchem.ncbi.nlm.nih.gov/compound/70136
Code system
PUBCHEM
References
8311c0cc-2b45-4c6b-ab22-7633fd0569c5
Uuid
afe0c0e2-4ccf-19e4-b203-50e80d5b437e
Code
DTXSID20236501
Type
PRIMARY
Url
https://comptox.epa.gov/dashboard/chemical/details/DTXSID20236501
Code system
EPA CompTox
References
9b48855b-45af-8f92-633d-1b67a3320b2e
Uuid
32e98d97-d16e-4b6d-a2df-7a719abcd7a6
Code
944K6CA5WU
Type
PRIMARY
Code system
FDA UNII
Uuid
798c86be-b4f4-2d32-b48b-de32cb55ff0f
Code
508741
Type
PRIMARY
Url
https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=508741
Code system
NSC
References
08d90636-7a64-6d4a-f55b-a0cfeb87c8d9

Names

Uuid
f9cf7387-b288-49c5-9193-0d4793a9b84e
Name
.ALPHA.-CHLORO-P-TOLUOYL CHLORIDE
StdName
.ALPHA.-CHLORO-P-TOLUOYL CHLORIDE
Type
sys
Preferred
false
Display name
false
Languages
en
References
e041a6fd-c93b-43b9-9e2e-4bb8868717a1
Uuid
5bb1a640-993b-4346-918f-2daff978fe99
Name
4-(CHLOROMETHYL)BENZOYL CHLORIDE
StdName
4-(CHLOROMETHYL)BENZOYL CHLORIDE
Type
sys
Preferred
false
Display name
true
Languages
en
References
ce14f646-7a4e-44a3-b1f6-593ecf1310db, bb9bd330-8b73-4541-9494-c34d167670a0
Uuid
eb34cf3c-fa01-4b9f-8337-e4c8f47ca743
Name
BENZOYL CHLORIDE, 4-(CHLOROMETHYL)-
StdName
BENZOYL CHLORIDE, 4-(CHLOROMETHYL)-
Type
sys
Preferred
false
Display name
false
Languages
en
References
e041a6fd-c93b-43b9-9e2e-4bb8868717a1
Uuid
72a5c2a3-b8af-0b1a-4bca-dac46fc71227
Name
NSC-508741
StdName
NSC-508741
Type
cd
Preferred
false
Display name
false
Languages
en
References
08d90636-7a64-6d4a-f55b-a0cfeb87c8d9
Uuid
c4c4f486-7a1a-4557-baa1-7bd543c4b8d4
Name
P-(CHLOROMETHYL)BENZOYL CHLORIDE
StdName
P-(CHLOROMETHYL)BENZOYL CHLORIDE
Type
sys
Preferred
false
Display name
false
Languages
en
References
e041a6fd-c93b-43b9-9e2e-4bb8868717a1

References

Uuid
bb9bd330-8b73-4541-9494-c34d167670a0
Citation
CHEMID
Doc type
SRS
Public domain
true
Tags
NOMEN
Uuid
ce14f646-7a4e-44a3-b1f6-593ecf1310db
Citation
EPA
Doc type
EPA
Public domain
true
Tags
NOMEN
Uuid
8311c0cc-2b45-4c6b-ab22-7633fd0569c5
Citation
SRS CODE IMPORT
Doc type
SRS
Public domain
true
Document date
1493393967000
Tags
NOMEN
Uuid
9b48855b-45af-8f92-633d-1b67a3320b2e
Citation
WEBSITE
Url
https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=876-08-4
Doc type
WEBSITE
Public domain
true
Tags
NOMEN, PUBLIC_DOMAIN_RELEASE
Uuid
e041a6fd-c93b-43b9-9e2e-4bb8868717a1
Citation
STN
Doc type
STN (SCIFINDER)
Public domain
true
Tags
PUBLIC_DOMAIN_RELEASE
Uuid
08d90636-7a64-6d4a-f55b-a0cfeb87c8d9
Citation
NCI
Doc type
NCI DRUG DICTIONARY
Public domain
true

Moieties

Uuid
ede4f4e4-4bc3-48fa-9a45-d2b878413b3d
ID
ede4f4e4-4bc3-48fa-9a45-d2b878413b3d
Smiles
c1cc(ccc1CCl)C(=O)Cl
Formula
C8H6Cl2O
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ACHIRAL
Defined stereo
0
Ez centers
0
Molecular weight
189.0388
Optical activity
NONE
Stereo centers
0
Molfile
Marvin 01132112192D 11 11 0 0 0 0 999 V2000 3.5721 -4.4714 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2832 -4.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9943 -4.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7053 -4.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4164 -4.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4164 -3.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7053 -3.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9943 -3.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1275 -3.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8385 -3.6348 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1275 -2.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 8 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 7 6 2 0 0 0 0 6 9 1 0 0 0 0 8 7 1 0 0 0 0 10 9 1 0 0 0 0 11 9 2 0 0 0 0 M END
Count amount
Type
MOL RATIO
Average
1
Units
MOL RATIO
Uuid
18f02dbe-b6cc-4d36-865e-642c155207fc

Structure

ID: 64a2045b-f6ef-4f81-ad89-4259b74e9ca6
Smiles: c1cc(ccc1CCl)C(=O)Cl
Formula: C8H6Cl2O
Atropisomerism: No
Charge: 0
Count: 1
Stereochemistry: ACHIRAL
Defined stereo: 0
Ez centers: 0
Molecular weight: 189.0388
Optical activity: NONE
Stereo centers: 0
Molfile: Marvin 01132105142D 11 11 0 0 0 0 999 V2000 7.1275 -3.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4164 -3.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1275 -2.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7053 -3.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4164 -4.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8385 -3.6348 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7053 -4.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9943 -3.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9943 -4.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 -4.4714 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2832 -4.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 5 2 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 10 11 1 0 0 0 0 11 9 1 0 0 0 0 8 9 2 0 0 0 0 M END
References: bb9bd330-8b73-4541-9494-c34d167670a0

Data from openFDA, FDA's public API. FDA says not to rely on it to make decisions about medical care and to treat every result as unvalidated; confirm against FDA's own record and the product labeling. Not medical or legal advice.