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Butyl chloroacetate

HCID 11530
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
590-02-3
표준 SMILES
CCCCOC(=O)CCl
InChIKey
YJRGMUWRPCPLNH-UHFFFAOYSA-N
분자식
C6H11ClO2
평균 분자량
150.6 g/mol
단동위원소 질량
150.0447573

이름 및 식별자

우선 이름
Butyl chloroacetate
IUPAC
butyl 2-chloroacetate
영어명
Butyl 2-chloroacetate
분자식
C6H11ClO2
분자량
150.6

이름 및 동의어

butyl 2-chloroacetateButyl chloroacetate590-02-3N-BUTYL CHLOROACETATEAcetic acid, chloro-, butyl esterChloroacetic acid butyl esterChloroacetic acid n-butyl ester14HD7CFO3ONSC-1212MFCD00018925Acetic acid, 2-chloro-, butyl estern-Butyl-chloroacetate
이름 더 보기
ButylChloroacetate>chloro-aceticacibutylesterBUTYL2-(METHYLTHIO)NICOTINATE2-chloroacetic acid butyl ester
Caswell No. 125JUNII-14HD7CFO3OHSDB 5703NSC 1212EINECS 209-670-0butyl monochloroacetaten-butyl 2-chloroacetateAI3-18528

데이터베이스 식별자

CAS
590-02-3
PubChem CID
11530
DTXSID
DTXSID5060437
UNII
14HD7CFO3O
EC Number
209-670-0
Nikkaji
J43.281D

물성

구조 계산 물성

XLogP
1.8
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
5
무거운 원자 수
9
형식 전하
0
복잡도
83

실험 및 물리화학적 성질

Density1.0704 @ 20 °C/4 °C
SolubilityINSOLUBLE IN WATER; SOLUBLE IN ALCOHOL, ETHER
Boiling Point183 °C
Refractive IndexIndex of refraction: 1.4297 @ 20 °C
Physical DescriptionColorless liquid; [MSDSonline]
Kovats Retention Index · 3건

1007;986;986;996;1000;1014;994;1001.4

1032

1466;1472;1500;1508;1510;1534

Other Experimental PropertiesWEIGHT/VOLUME CONVERSION: 6.15 MG/CU M APPROX 1 PPM

물리화학적 성질

끓는 점
72 °C · 72 °C
밀도
1 · 1,07 g/cm3
굴절률
1.428 · 1.4280-1.4300
물리적 상태
투명한 액체
색상
무색 내지 거의 무색
NIST
Chloroacetic acid butyl ester(590-02-3)
EPA
Acetic acid, chloro-, butyl ester (590-02-3)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (95.1%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (95.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P316, P317, P321, P330, P332+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazards SummaryA 6-hour exposure to 2.8 gm/m3 was practically nontoxic for 6 rats; [HSDB] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (95.1%);Acute Tox. 3 (95.1%);Skin Irrit. 2 (100%);Eye Dam. 1 (95.1%)

안전 및 보호

Disposal Methods · 1건

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

독성 정보

Adverse EffectsDermatotoxin - Skin burns.
TSCA Test Submissions · 5건

N-Butyl chloroacetatetyl ester (CAS# 590-02-3) was evaluated for acute oral toxicity in male and female Sprague-Dawley albino rats. The test substance was fed by oral gavage at dose levels of 251, 316, 398, and 501 mg/kg. The mortality ratios were 0/2 M, 0/3 F; 1/3 M, 1/2 F; 1/2 M, 2/3 F; and 3/3 M, 2/2 F, respectively. Toxic signs included reduced appetite and activity, rapidly increasing weakness, collapse, and death. Autopsy findings included hemorrhagic lungs and liver and acute gastrointestinal inflammation. The LD50 was determined to be 360 mg/kg.

N-Butyl chloroacetatetyl ester (CAS# 590-02-3) was evaluated for acute dermal toxicity in New Zealand white male and female rabbits at dose levels of 100, 200, 316, 501, and 1000 mg/kg. The mortality ratios were 0/1 F; 1/1 M, 1/1 F; 1/1 M, 1/1 F; 1/1 M; and 1/1 F, respectively. Toxic signs included reduced appetite and activity, rapidly increasing weakness, ocular discharge, collapse, and death. Autopsy findings included lung and liver hyperemia. The LD50 was determined to be greater than 200 mg/kg and less than 316 mg/kg.

N-Butyl chloroacetatetyl ester (CAS# 590-02-3) was evaluated for dermal irritation in three New Zealand white male and female rabbits at a dose level of 0.5 m/L applied undiluted to the intact skin. The test substance was a severe irritant with an average maximum score of 6.0 out of 8 in 24-hours. Observations following application included slight erythema and severe edema (24-hours) and no erythema or edema at 168-hours.

N-Butyl chloroacetatetyl ester (CAS# 590-02-3) was evaluated for eye irritation in three New Zealand white male and female rabbits at a dose level of 0.1 m/L. The test substance was classified as a mild eye irritation with an average maximum score of 16.6 out of 110 in 24-hours. Observations following application included moderate to severe erythema, including a diffuse, deep-crimson red appearance of the conjunctivae, with individual vessels not easily discernable; moderate edema; and moderate to copious discharge containing slight whitish exudate (24-hours). At 168-hours the eyes were normal with zero readings.

N-Butyl chloroacetatetyl ester (CAS# 590-02-3) was evaluated for acute inhalation toxicity in six male rats exposed for 6-hours at an average concentration of 2.8 g/m3. Observations during exposure included slight discomfort, but within 15-minutes the animals had normal reactions including no nasal or ocular discharge, no weakness or drowsiness, and normal respiration. Observations following exposure included normal respiration and no sign of toxic distress. All animals survived the 6-hour exposure. It was concluded that the vapors were practically non-toxic under conditions of the test.

안전 데이터

tsca
TSCA listed
ridadr
3272
HS 번호
2915400000
risk_code
10-36/37/38-34
hazard_code
C
safety_code
16-26-36-45-36/37/39-23
위험 참고 사항
Corrosive
유해 물질 데이터
590-02-3(Hazardous Substances Data)

화학 및 산업

용도 및 제조

General Manufacturing InformationAcetic acid, 2-chloro-, butyl ester: ACTIVE

상·하류 제품 정보

하류 제품

Butyl philIalyl blutyl gIycolate뷰틸 글라이콜일 뷰틸 프탈레이트2,4-D 부틸 에스테르n-Butyl cyanoacetate부틸4-tert-부톡시카르보닐아미노-1-피페리디네아세테이트

공급사62 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
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湖北成丰化工有限公司13125175253 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
上海竺钥化工有限公司021-33559231 18964673308 · [email protected]
广东大小化工有限公司1866-171603 18666171603 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
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HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
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上海源叶生物科技有限公司13636370518 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
武汉弘德悦欣医药科技有限公司027-83850116 18164090116 · [email protected]
盼得(上海)国际贸易有限公司80159919 18662931292 · [email protected]
巴师傅(上海)生物医药科技有限公司60662071 18117346937 · [email protected]
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厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
湖北康鑫源顺医药化工有限公司027-51831887 15337167856 · [email protected]
艾览(上海)化工科技有限公司400-668-9898 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
武汉裕清嘉衡药业有限公司027-83855389 13545340383 · [email protected]

관련 반응

6건
반응 기록 만들기
HRID 847362 반응식
HRID 847362반응물로uspto-grants-1992_08
HRID 989130 반응식
HRID 989130반응물로uspto-grants-2003_10
HRID 1089753 반응식
HRID 1089753반응물로uspto-grants-1992_01
HRID 1589826 반응식
HRID 1589826반응물로uspto-grants-1993_04
HRID 1863139 반응식
HRID 1863139생성물로uspto-grants-1979_09
HRID 2326237 반응식
HRID 2326237반응물로Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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